CAS: 78233-99-5
名称: 5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILES:
COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OCC3=CC=CC=C3Molecular Processing
Molecular formula
C19H20N4O2
Molecular weight
336.4
Exact mass
336.1586
XLogP
2.82
TPSA
96.28
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
97.43
Supplementary Information
InChIKey: XARRNBRDTOCYPU-UHFFFAOYSA-N
同義語
CHEMBL29193178233-99-55-[[4-methoxy-3-(phenylmethoxy)phenyl]methyl]-2,4-pyrimidinediamineSCHEMBL9656060DTXSID10466330XARRNBRDTOCYPU-UHFFFAOYSA-N5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamineBDBM501386995-{[3-(BENZYLOXY)-4-METHOXYPHENYL]METHYL}PYRIMIDINE-2,4-DIAMINE2,4-diamino-5-(3-benzyloxy-4-methoxybenzyl)pyrimidine5-(3-(benzyloxy)-4-methoxybenzyl)pyrimidine-2,4-diamine5-(3-Benzyloxy-4-methoxy-benzyl)-pyrimidine-2,4-diamine
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