N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide

C15H19N5O3 — CID 136662280

IUPACN-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide
SMILESCOCc1nc(C2CC(NC(=O)c3nccn3C)C2)cc(=O)[nH]1
InChIInChI=1S/C15H19N5O3/c1-20-4-3-16-14(20)15(22)17-10-5-9(6-10)11-7-13(21)19-12(18-11)8-23-2/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyUPBOCUBHARVJAS-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.33
Rot. Bonds5

About N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide

N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide (PubChem CID 136662280) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide
PubChem CID136662280
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide
SMILESCOCc1nc(C2CC(NC(=O)c3nccn3C)C2)cc(=O)[nH]1
InChIInChI=1S/C15H19N5O3/c1-20-4-3-16-14(20)15(22)17-10-5-9(6-10)11-7-13(21)19-12(18-11)8-23-2/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyUPBOCUBHARVJAS-UHFFFAOYSA-N
XLogP0.33
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide (CID 136662280) is N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide is COCc1nc(C2CC(NC(=O)c3nccn3C)C2)cc(=O)[nH]1.
What is the InChIKey of N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide?
The InChIKey is UPBOCUBHARVJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-20-4-3-16-14(20)15(22)17-10-5-9(6-10)11-7-13(21)19-12(18-11)8-23-2/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,22)(H,18,19,21).
What are the key properties of N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide?
N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 136662280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).