N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C14H14N6O2S — CID 72873127

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(-c2ncc(C(=O)N(C)Cc3ncc[nH]3)c(=O)[nH]2)cs1
InChIInChI=1S/C14H14N6O2S/c1-8-18-10(7-23-8)12-17-5-9(13(21)19-12)14(22)20(2)6-11-15-3-4-16-11/h3-5,7H,6H2,1-2H3,(H,15,16)(H,17,19,21)
InChIKeyXFTKLNKCKLCHDI-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.20
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72873127) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72873127
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(-c2ncc(C(=O)N(C)Cc3ncc[nH]3)c(=O)[nH]2)cs1
InChIInChI=1S/C14H14N6O2S/c1-8-18-10(7-23-8)12-17-5-9(13(21)19-12)14(22)20(2)6-11-15-3-4-16-11/h3-5,7H,6H2,1-2H3,(H,15,16)(H,17,19,21)
InChIKeyXFTKLNKCKLCHDI-UHFFFAOYSA-N
XLogP1.20
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72891553
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide
CID 97153313
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72915421
4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81245737
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97116777
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 63939455
N-(1H-imidazol-2-ylmethyl)-N-methylnaphthalene-1-carboxamide
CID 63928694
N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide
CID 63930376
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72873740
2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide
CID 90384979
2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzamide
CID 63929949
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 66484932

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 72873127) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(-c2ncc(C(=O)N(C)Cc3ncc[nH]3)c(=O)[nH]2)cs1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is XFTKLNKCKLCHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-8-18-10(7-23-8)12-17-5-9(13(21)19-12)14(22)20(2)6-11-15-3-4-16-11/h3-5,7H,6H2,1-2H3,(H,15,16)(H,17,19,21).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72873127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).