2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C17H20N4O3 — CID 136727792

IUPAC2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C17H20N4O3/c1-11-13(9-15(22)19-10-12-5-4-8-24-12)17(23)21-16(20-11)14-6-2-3-7-18-14/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,19,22)(H,20,21,23)/t12-/m0/s1
InChIKeyUHXIANWLGJBLLJ-LBPRGKRZSA-N
MW328.37 g/mol
LogP0.98
Rot. Bonds5

About 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 136727792) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID136727792
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C17H20N4O3/c1-11-13(9-15(22)19-10-12-5-4-8-24-12)17(23)21-16(20-11)14-6-2-3-7-18-14/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,19,22)(H,20,21,23)/t12-/m0/s1
InChIKeyUHXIANWLGJBLLJ-LBPRGKRZSA-N
XLogP0.98
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681810
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide
CID 136793208
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 25491166
N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 70734672
2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911219
N-[[(2R)-oxolan-2-yl]methyl]-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
CID 7531972
N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30479226
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 48650609
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135629187
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95095586
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 30479133

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 136727792) is 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is UHXIANWLGJBLLJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-13(9-15(22)19-10-12-5-4-8-24-12)17(23)21-16(20-11)14-6-2-3-7-18-14/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,19,22)(H,20,21,23)/t12-/m0/s1.
What are the key properties of 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 328.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 136727792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).