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

C14H16N4O — CID 167978249

IUPAC2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC2c2ccccn2)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O/c1-10-16-13(9-14(19)17-10)18-8-4-6-12(18)11-5-2-3-7-15-11/h2-3,5,7,9,12H,4,6,8H2,1H3,(H,16,17,19)
InChIKeyWDIFYWVARURITG-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.81
Rot. Bonds2

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

2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 167978249) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID167978249
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC2c2ccccn2)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O/c1-10-16-13(9-14(19)17-10)18-8-4-6-12(18)11-5-2-3-7-15-11/h2-3,5,7,9,12H,4,6,8H2,1H3,(H,16,17,19)
InChIKeyWDIFYWVARURITG-UHFFFAOYSA-N
XLogP1.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136697556
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 136687978
4-(3-methylmorpholin-4-yl)-6-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyridin-2-one
CID 130359366
2-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrimidine
CID 95298088
4-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 137007881
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-6-one
CID 136957952
2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 40637940
2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 99695577
1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
CID 97272819
4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 133492915
3-methyl-5-[2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 97319679
3-methyl-5-[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 97319680

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 167978249) is 2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one is Cc1nc(N2CCCC2c2ccccn2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is WDIFYWVARURITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-16-13(9-14(19)17-10)18-8-4-6-12(18)11-5-2-3-7-15-11/h2-3,5,7,9,12H,4,6,8H2,1H3,(H,16,17,19).
What are the key properties of 2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 256.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 167978249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).