CAS: 83010-89-3
이름: 5-[(3,4-dimethoxy-5-prop-2-ynoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILES:
COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCC#C)OCMolecular Processing
Molecular formula
C16H18N4O3
Molecular weight
314.35
Exact mass
314.1379
XLogP
1.26
TPSA
105.51
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
87.54
Supplementary Information
InChIKey: AVHFZIOARQATJP-UHFFFAOYSA-N
동의어
2,4-Diamino-5-[3,4-dimethoxy-5-(2-propynyloxy)benzyl]pyrimidine83010-89-3SCHEMBL9829981AVHFZIOARQATJP-UHFFFAOYSA-NDTXSID4011453645-({3,4-Dimethoxy-5-[(prop-2-yn-1-yl)oxy]phenyl}methyl)pyrimidine-2,4-diamine5-[[3,4-Dimethoxy-5-(2-propyn-1-yloxy)phenyl]methyl]-2,4-pyrimidinediamine
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