4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one

C12H13N3O2 — CID 63611953

IUPAC4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C12H13N3O2/c1-7(2)9-11(16)14-10(15-12(9)17)8-4-3-5-13-6-8/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyDRPHWHGAVDKBSW-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.66
Rot. Bonds2

About 4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one

4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 63611953) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one
PubChem CID63611953
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C12H13N3O2/c1-7(2)9-11(16)14-10(15-12(9)17)8-4-3-5-13-6-8/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyDRPHWHGAVDKBSW-UHFFFAOYSA-N
XLogP1.66
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 55217017
5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 79431022
4-hydroxy-5-propan-2-yl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 63612290
5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 79431652
2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 115565726
4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one
CID 19596717
4-hydroxy-2-(2-nitrophenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613808
5-(2-methylpropyl)-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47007200
7-(2-phenylpropanoyl)-2-pyridin-3-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 137167046
disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate)
CID 139881687
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide
CID 137127027
N-(6-oxo-2-phenyl-4-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 136815026

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one (CID 63611953) is 4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(-c2cccnc2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one?
The InChIKey is DRPHWHGAVDKBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7(2)9-11(16)14-10(15-12(9)17)8-4-3-5-13-6-8/h3-7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one?
4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 231.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63611953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).