4,6-diaminopyrimidine-5-carbaldehyde

4,6-diaminopyrimidine-5-carbaldehyde

CAS: 109831-68-7

Formula: C5H6N4O

SMILES: NC1=NC=NC(N)=C1C=O

IUPAC: 4,6-diaminopyrimidine-5-carbaldehyde

InChI: InChI=1S/C5H6N4O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H,(H4,6,7,8,9)

Composition: C (43.48%), H (4.38%), N (40.56%), O (11.58%)

Molar Mass: 138.13

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	138.054160829
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ACGOYQVBNIIMJN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.33
Topological Polar Surface Area	94.89
Polarizability	12.79
Ring Count	1
Rotatable Bond Count	1

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