2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one

C13H15N3O — CID 135753920

IUPAC2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCC(C)Cc1nc(-c2ccncc2)cc(=O)[nH]1
InChIInChI=1S/C13H15N3O/c1-9(2)7-12-15-11(8-13(17)16-12)10-3-5-14-6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,16,17)
InChIKeyRINMEARBKHAZDV-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.03
Rot. Bonds3

About 2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one

2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135753920) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135753920
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCC(C)Cc1nc(-c2ccncc2)cc(=O)[nH]1
InChIInChI=1S/C13H15N3O/c1-9(2)7-12-15-11(8-13(17)16-12)10-3-5-14-6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,16,17)
InChIKeyRINMEARBKHAZDV-UHFFFAOYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Milrinone
CID 4197
Amrinone
CID 3698
6-Methyl-2-(pyridin-2-yl)pyrimidin-4-ol
CID 135472985
Medorinone
CID 5362132
Pelrinone
CID 135413516
4-Hydroxy-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 135463837
N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 653424
6-Methyl-2-(3-pyridinyl)-4-pyrimidinol
CID 135439676
Cyto8C5
CID 135435523
2-(Pyridin-3-yl)-6-(trifluoromethyl)pyrimidin-4-ol
CID 135410009
2-Amino-6-pyridin-3-yl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136055841
6-Methyl-3-(2-pyridinyl)-1,2,4-triazin-5(2H)-one
CID 135441872

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135753920) is 2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one is CC(C)Cc1nc(-c2ccncc2)cc(=O)[nH]1.
What is the InChIKey of 2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is RINMEARBKHAZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(2)7-12-15-11(8-13(17)16-12)10-3-5-14-6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 229.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135753920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).