N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide

C11H15N3O3 — CID 146152825

IUPACN-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(=O)[nH]c(C2CCOCC2)n1
InChIInChI=1S/C11H15N3O3/c1-12-11(16)8-6-9(15)14-10(13-8)7-2-4-17-5-3-7/h6-7H,2-5H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyZMLOSDRGLRVJJY-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.02
Rot. Bonds2

About N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide

N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 146152825) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID146152825
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(=O)[nH]c(C2CCOCC2)n1
InChIInChI=1S/C11H15N3O3/c1-12-11(16)8-6-9(15)14-10(13-8)7-2-4-17-5-3-7/h6-7H,2-5H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyZMLOSDRGLRVJJY-UHFFFAOYSA-N
XLogP0.02
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154865335
2-cyclopropyl-N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 154851326
2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 166481475
2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 136982709
2-cyclopropyl-6-oxo-N-[(3-oxocyclobutyl)methyl]-1H-pyrimidine-4-carboxamide
CID 167759812
2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154869775
2-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 167945533
N-[1-[5-fluoro-1-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-2-hydroxyethyl]-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 162543214
4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 154787362
2-cyclopropyl-N-[1-(3,3-dimethyloxetane-2-carbonyl)azetidin-3-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 155963764
2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide
CID 167885804
4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 167966173

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 146152825) is N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide is CNC(=O)c1cc(=O)[nH]c(C2CCOCC2)n1.
What is the InChIKey of N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is ZMLOSDRGLRVJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-12-11(16)8-6-9(15)14-10(13-8)7-2-4-17-5-3-7/h6-7H,2-5H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 146152825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).