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

C10H10N4O — CID 135448367

IUPAC2,4-diamino-5-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(N)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H10N4O/c11-8-7(6-4-2-1-3-5-6)9(15)14-10(12)13-8/h1-5H,(H5,11,12,13,14,15)
InChIKeyXXXWUVLTYKKMKI-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.60
Rot. Bonds1

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

2,4-diamino-5-phenyl-1H-pyrimidin-6-one (PubChem CID 135448367) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 2,4-diamino-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-phenyl-1H-pyrimidin-6-one
PubChem CID135448367
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name2,4-diamino-5-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(N)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H10N4O/c11-8-7(6-4-2-1-3-5-6)9(15)14-10(12)13-8/h1-5H,(H5,11,12,13,14,15)
InChIKeyXXXWUVLTYKKMKI-UHFFFAOYSA-N
XLogP0.60
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one
CID 135837392
2-methyl-4,5-diphenyl-1H-pyrimidin-6-one
CID 162219901
4-amino-3-phenyl-1H-quinolin-2-one
CID 2784967
2-amino-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-6-(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135656204
4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one
CID 135415843
4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one
CID 135481509
2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 135431418
2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498
2-amino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135469356
2,5-diamino-4-anilino-1H-pyrimidin-6-one
CID 135850742
4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one
CID 65431560
4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one
CID 137277391

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-phenyl-1H-pyrimidin-6-one (CID 135448367) is 2,4-diamino-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-phenyl-1H-pyrimidin-6-one is Nc1nc(N)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2,4-diamino-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is XXXWUVLTYKKMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-8-7(6-4-2-1-3-5-6)9(15)14-10(12)13-8/h1-5H,(H5,11,12,13,14,15).
What are the key properties of 2,4-diamino-5-phenyl-1H-pyrimidin-6-one?
2,4-diamino-5-phenyl-1H-pyrimidin-6-one has a molecular weight of 202.22 g/mol, XLogP of 0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135448367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).