N,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide

C12H17N3O4 — CID 127866003

IUPACN,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide
SMILESCN(C[C@H]1CCCO1)C(=O)c1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O4/c1-14(7-8-4-3-5-19-8)10(16)9-6-13-12(18)15(2)11(9)17/h6,8H,3-5,7H2,1-2H3,(H,13,18)/t8-/m1/s1
InChIKeyOLFDKSCBJXYPHP-MRVPVSSYSA-N
MW267.28 g/mol
LogP-0.68
Rot. Bonds3

About N,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide

N,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide (PubChem CID 127866003) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide
PubChem CID127866003
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide
SMILESCN(C[C@H]1CCCO1)C(=O)c1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O4/c1-14(7-8-4-3-5-19-8)10(16)9-6-13-12(18)15(2)11(9)17/h6,8H,3-5,7H2,1-2H3,(H,13,18)/t8-/m1/s1
InChIKeyOLFDKSCBJXYPHP-MRVPVSSYSA-N
XLogP-0.68
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide (CID 127866003) is N,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide is CN(C[C@H]1CCCO1)C(=O)c1c[nH]c(=O)n(C)c1=O.
What is the InChIKey of N,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is OLFDKSCBJXYPHP-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-14(7-8-4-3-5-19-8)10(16)9-6-13-12(18)15(2)11(9)17/h6,8H,3-5,7H2,1-2H3,(H,13,18)/t8-/m1/s1.
What are the key properties of N,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide?
N,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 267.28 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 127866003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).