4,5-diamino-2-anilino-1H-pyrimidin-6-one

C10H11N5O — CID 135850744

IUPAC4,5-diamino-2-anilino-1H-pyrimidin-6-one
SMILESNc1nc(Nc2ccccc2)[nH]c(=O)c1N
InChIInChI=1S/C10H11N5O/c11-7-8(12)14-10(15-9(7)16)13-6-4-2-1-3-5-6/h1-5H,11H2,(H4,12,13,14,15,16)
InChIKeyNZRGVFBNMBPYLN-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.68
Rot. Bonds2

About 4,5-diamino-2-anilino-1H-pyrimidin-6-one

4,5-diamino-2-anilino-1H-pyrimidin-6-one (PubChem CID 135850744) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4,5-diamino-2-anilino-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-diamino-2-anilino-1H-pyrimidin-6-one
PubChem CID135850744
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4,5-diamino-2-anilino-1H-pyrimidin-6-one
SMILESNc1nc(Nc2ccccc2)[nH]c(=O)c1N
InChIInChI=1S/C10H11N5O/c11-7-8(12)14-10(15-9(7)16)13-6-4-2-1-3-5-6/h1-5H,11H2,(H4,12,13,14,15,16)
InChIKeyNZRGVFBNMBPYLN-UHFFFAOYSA-N
XLogP0.68
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4,5-diamino-2-anilino-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Methylanilino)-4-pyrimidinol
CID 824717
Guanidine, 1-(p-chlorophenyl)-3-(4-hydroxy-6-methyl-2-pyrimidinyl)-
CID 135408788
6,6-dimethyl-N2-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 221163
6-methyl-2-[(2-methylphenyl)amino]pyrimidin-4(3H)-one
CID 135454332
6-Amino-2-(4-phenyl-1-piperazinyl)-4-pyrimidinol
CID 135400065
2,4-Diamino-6-hydroxy-5-phenylazopyrimidine
CID 135403411
N-(1,6-Dihydro-4-methyl-6-oxo-2-pyrimidinyl)-N'-phenylguanidine
CID 135495567
2-N-Anilino-4-hydroxy-6-methylpyrimidine
CID 135416215
3-(Phenylamino)-1,2,4-triazin-5-ol
CID 135439726
2-[(3-bromophenyl)amino]-6-methyl-4(3H)-pyrimidinone
CID 135459599
2-{[4-(dimethylamino)phenyl]amino}-6-methyl-4(3H)-pyrimidinone
CID 135459603
2-[(4-chlorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135472778

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2-anilino-1H-pyrimidin-6-one?
The IUPAC name of 4,5-diamino-2-anilino-1H-pyrimidin-6-one (CID 135850744) is 4,5-diamino-2-anilino-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-diamino-2-anilino-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-diamino-2-anilino-1H-pyrimidin-6-one is Nc1nc(Nc2ccccc2)[nH]c(=O)c1N.
What is the InChIKey of 4,5-diamino-2-anilino-1H-pyrimidin-6-one?
The InChIKey is NZRGVFBNMBPYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-7-8(12)14-10(15-9(7)16)13-6-4-2-1-3-5-6/h1-5H,11H2,(H4,12,13,14,15,16).
What are the key properties of 4,5-diamino-2-anilino-1H-pyrimidin-6-one?
4,5-diamino-2-anilino-1H-pyrimidin-6-one has a molecular weight of 217.23 g/mol, XLogP of 0.68, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2-anilino-1H-pyrimidin-6-one is sourced from PubChem (CID 135850744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).