2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one

C13H15N3O — CID 135753941

IUPAC2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCCCCc1nc(-c2ccncc2)cc(=O)[nH]1
InChIInChI=1S/C13H15N3O/c1-2-3-4-12-15-11(9-13(17)16-12)10-5-7-14-8-6-10/h5-9H,2-4H2,1H3,(H,15,16,17)
InChIKeyXKFAKPKBVZBZRX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.17
Rot. Bonds4

About 2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one

2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135753941) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135753941
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCCCCc1nc(-c2ccncc2)cc(=O)[nH]1
InChIInChI=1S/C13H15N3O/c1-2-3-4-12-15-11(9-13(17)16-12)10-5-7-14-8-6-10/h5-9H,2-4H2,1H3,(H,15,16,17)
InChIKeyXKFAKPKBVZBZRX-UHFFFAOYSA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.17
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
(2E)-3-phenyl-N-(pyridin-3-yl)prop-2-enamide
CID 825474
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

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135753941) is 2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one is CCCCc1nc(-c2ccncc2)cc(=O)[nH]1.
What is the InChIKey of 2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is XKFAKPKBVZBZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-3-4-12-15-11(9-13(17)16-12)10-5-7-14-8-6-10/h5-9H,2-4H2,1H3,(H,15,16,17).
What are the key properties of 2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 229.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135753941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).