C1=CC=C(C=C1)NC2=NC=C(C(=N2)N)C=O
CAS: 179343-50-1
Name: 4-amino-2-anilinopyrimidine-5-carbaldehyde
SMILES: C1=CC=C(C=C1)NC2=NC=C(C(=N2)N)C=O

Molecular Processing

Molecular formula
C11H10N4O
Molecular weight
214.23
Exact mass
214.0855
XLogP
1.61
TPSA
80.9
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
61.56

Supplementary Information

InChIKey: XYIJRLBJDUKMMQ-UHFFFAOYSA-N
Synonyms
SCHEMBL4714696XYIJRLBJDUKMMQ-UHFFFAOYSA-NDB-1381884-amino-2-phenylamino-pyrimidine-5-carboxaldehyde4-Amino-2-(phenylamino)-5-pyrimidinecarboxaldehyde179343-50-1
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Involved in 9 reactions→

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