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

C10H11N5O — CID 135850742

IUPAC2,5-diamino-4-anilino-1H-pyrimidin-6-one
SMILESNc1nc(Nc2ccccc2)c(N)c(=O)[nH]1
InChIInChI=1S/C10H11N5O/c11-7-8(14-10(12)15-9(7)16)13-6-4-2-1-3-5-6/h1-5H,11H2,(H4,12,13,14,15,16)
InChIKeyIXVBHBNUMKOFEP-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.68
Rot. Bonds2

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

2,5-diamino-4-anilino-1H-pyrimidin-6-one (PubChem CID 135850742) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 2,5-diamino-4-anilino-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-anilino-1H-pyrimidin-6-one
PubChem CID135850742
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name2,5-diamino-4-anilino-1H-pyrimidin-6-one
SMILESNc1nc(Nc2ccccc2)c(N)c(=O)[nH]1
InChIInChI=1S/C10H11N5O/c11-7-8(14-10(12)15-9(7)16)13-6-4-2-1-3-5-6/h1-5H,11H2,(H4,12,13,14,15,16)
InChIKeyIXVBHBNUMKOFEP-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

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Related Compounds

2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one
CID 135406299
2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide
CID 135854192
N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide
CID 135496583
2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine
CID 82235464
2-amino-4-hydroxy-6-oxo-N-phenyl-1H-pyrimidine-5-carboxamide
CID 118313501
2,4-diamino-5-phenyl-1H-pyrimidin-6-one
CID 135448367
2,5-diamino-4-[(3,4-dichlorophenyl)methylamino]-1H-pyrimidin-6-one
CID 135474303
2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid
CID 150188567
4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one
CID 136951883
2-amino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135469356
2-amino-5-(3-anilinopropyl)-4-benzyl-1H-pyrimidin-6-one
CID 135469427
CID 88886077
CID 88886077

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-anilino-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-anilino-1H-pyrimidin-6-one (CID 135850742) is 2,5-diamino-4-anilino-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-anilino-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-anilino-1H-pyrimidin-6-one is Nc1nc(Nc2ccccc2)c(N)c(=O)[nH]1.
What is the InChIKey of 2,5-diamino-4-anilino-1H-pyrimidin-6-one?
The InChIKey is IXVBHBNUMKOFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-7-8(14-10(12)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 2,5-diamino-4-anilino-1H-pyrimidin-6-one?
2,5-diamino-4-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 2,5-diamino-4-anilino-1H-pyrimidin-6-one is sourced from PubChem (CID 135850742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).