N-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H13N5O2S — CID 3390229

IUPACN-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cnc3scc(C)n3c2=O)n1
InChIInChI=1S/C14H13N5O2S/c1-7-4-8(2)17-13(16-7)18-11(20)10-5-15-14-19(12(10)21)9(3)6-22-14/h4-6H,1-3H3,(H,16,17,18,20)
InChIKeyLVKUIADIPKDJAX-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.72
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3390229) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3390229
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cnc3scc(C)n3c2=O)n1
InChIInChI=1S/C14H13N5O2S/c1-7-4-8(2)17-13(16-7)18-11(20)10-5-15-14-19(12(10)21)9(3)6-22-14/h4-6H,1-3H3,(H,16,17,18,20)
InChIKeyLVKUIADIPKDJAX-UHFFFAOYSA-N
XLogP1.72
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3390229) is N-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cc(C)nc(NC(=O)c2cnc3scc(C)n3c2=O)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LVKUIADIPKDJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-7-4-8(2)17-13(16-7)18-11(20)10-5-15-14-19(12(10)21)9(3)6-22-14/h4-6H,1-3H3,(H,16,17,18,20).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 315.36 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3390229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).