2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide

C11H15N3O3 — CID 110849535

IUPAC2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCC2CCCO2)c(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-7-12-6-9(11(16)14-7)10(15)13-5-8-3-2-4-17-8/h6,8H,2-5H2,1H3,(H,13,15)(H,12,14,16)
InChIKeyLVGPVCZKJWAGMA-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.01
Rot. Bonds3

About 2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide

2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 110849535) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID110849535
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCC2CCCO2)c(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-7-12-6-9(11(16)14-7)10(15)13-5-8-3-2-4-17-8/h6,8H,2-5H2,1H3,(H,13,15)(H,12,14,16)
InChIKeyLVGPVCZKJWAGMA-UHFFFAOYSA-N
XLogP-0.01
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45804765
N-ethyl-2-methyl-6-oxo-N-(tetrahydro-2H-pyran-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxamide
CID 90649266
4-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 93608619
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 93608620
N-ethyl-2-methyl-N-[[(2S)-oxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 100044212
N-ethyl-2-methyl-N-[[(2R)-oxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 100044214
5-(aminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 104189929
5-(aminomethyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 104189996
6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 110849534
5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 114206228
2-(oxolan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206284
5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 114206357

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 110849535) is 2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCC2CCCO2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is LVGPVCZKJWAGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-12-6-9(11(16)14-7)10(15)13-5-8-3-2-4-17-8/h6,8H,2-5H2,1H3,(H,13,15)(H,12,14,16).
What are the key properties of 2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110849535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).