5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one

C14H15N3O — CID 135473110

IUPAC5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1
InChIInChI=1S/C14H15N3O/c1-9-11(8-10-5-6-10)14(18)17-13(16-9)12-4-2-3-7-15-12/h2-4,7,10H,5-6,8H2,1H3,(H,16,17,18)
InChIKeyQARBRPHMSCDUIJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.09
Rot. Bonds3

About 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one

5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 135473110) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID135473110
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1
InChIInChI=1S/C14H15N3O/c1-9-11(8-10-5-6-10)14(18)17-13(16-9)12-4-2-3-7-15-12/h2-4,7,10H,5-6,8H2,1H3,(H,16,17,18)
InChIKeyQARBRPHMSCDUIJ-UHFFFAOYSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-(pyridin-2-yl)pyrimidin-4-ol
CID 135472985
2-Pyridin-2-Yl-7,8-Dihydro-5h-Thiopyrano[4,3-D]pyrimidin-4-Ol
CID 135418937
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
4-ethyl-5-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135400715
2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinol
CID 135409931
6-Amino-2-(pyridin-2-yl)pyrimidin-4(3H)-one
CID 135482584
N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 823612
4-Hydroxy-2-(2-pyridyl)quinazoline
CID 135413969

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 135473110) is 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one is Cc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1.
What is the InChIKey of 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is QARBRPHMSCDUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-11(8-10-5-6-10)14(18)17-13(16-9)12-4-2-3-7-15-12/h2-4,7,10H,5-6,8H2,1H3,(H,16,17,18).
What are the key properties of 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135473110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).