2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide

C14H16N4O3S — CID 138005065

IUPAC2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOCc1nc(CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)cs1
InChIInChI=1S/C14H16N4O3S/c1-21-6-12-16-9(7-22-12)5-15-14(20)10-4-11(19)18-13(17-10)8-2-3-8/h4,7-8H,2-3,5-6H2,1H3,(H,15,20)(H,17,18,19)
InChIKeyHMIKAHWGZUFLID-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.18
Rot. Bonds6

About 2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide

2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 138005065) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID138005065
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOCc1nc(CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)cs1
InChIInChI=1S/C14H16N4O3S/c1-21-6-12-16-9(7-22-12)5-15-14(20)10-4-11(19)18-13(17-10)8-2-3-8/h4,7-8H,2-3,5-6H2,1H3,(H,15,20)(H,17,18,19)
InChIKeyHMIKAHWGZUFLID-UHFFFAOYSA-N
XLogP1.18
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154832427
2-cyclopropyl-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 146589899
2-cyclopropyl-6-oxo-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-1H-pyrimidine-4-carboxamide
CID 154876512
2-cyclopropyl-N-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 167970440
2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 138004806
N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 146152825
2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 167849047
2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154865335
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154869241
2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974262
2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 136982709
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110374670

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 138005065) is 2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide is COCc1nc(CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)cs1.
What is the InChIKey of 2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is HMIKAHWGZUFLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-21-6-12-16-9(7-22-12)5-15-14(20)10-4-11(19)18-13(17-10)8-2-3-8/h4,7-8H,2-3,5-6H2,1H3,(H,15,20)(H,17,18,19).
What are the key properties of 2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 138005065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).