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

C16H19N3O — CID 135473160

IUPAC5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1
InChIInChI=1S/C16H19N3O/c1-2-5-13-12(10-11-7-8-11)16(20)19-15(18-13)14-6-3-4-9-17-14/h3-4,6,9,11H,2,5,7-8,10H2,1H3,(H,18,19,20)
InChIKeyAKABJSBHFQNTKC-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.74
Rot. Bonds5

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

5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 135473160) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID135473160
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1
InChIInChI=1S/C16H19N3O/c1-2-5-13-12(10-11-7-8-11)16(20)19-15(18-13)14-6-3-4-9-17-14/h3-4,6,9,11H,2,5,7-8,10H2,1H3,(H,18,19,20)
InChIKeyAKABJSBHFQNTKC-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 136902573
4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136766353
[(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate
CID 136697436
4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 66285358
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
CID 135977009
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 136727792
5-fluoro-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 144858847
6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one
CID 135840397
2-pyridin-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696261
4-hydroxy-5-propan-2-yl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 63612290
tert-butyl 4-[(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)methyl]piperidine-1-carboxylate;bis(7-(piperidin-4-ylmethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one)
CID 157288541
2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one
CID 136847774

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 135473160) is 5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one is CCCc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1.
What is the InChIKey of 5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is AKABJSBHFQNTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-5-13-12(10-11-7-8-11)16(20)19-15(18-13)14-6-3-4-9-17-14/h3-4,6,9,11H,2,5,7-8,10H2,1H3,(H,18,19,20).
What are the key properties of 5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 269.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135473160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).