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

C13H11N5O2S — CID 3589326

IUPACN-(4,6-dimethylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cnc3sccn3c2=O)n1
InChIInChI=1S/C13H11N5O2S/c1-7-5-8(2)16-12(15-7)17-10(19)9-6-14-13-18(11(9)20)3-4-21-13/h3-6H,1-2H3,(H,15,16,17,19)
InChIKeyBLASLMNCJXZFBN-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.42
Rot. Bonds2

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

N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3589326) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3589326
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cnc3sccn3c2=O)n1
InChIInChI=1S/C13H11N5O2S/c1-7-5-8(2)16-12(15-7)17-10(19)9-6-14-13-18(11(9)20)3-4-21-13/h3-6H,1-2H3,(H,15,16,17,19)
InChIKeyBLASLMNCJXZFBN-UHFFFAOYSA-N
XLogP1.42
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-Amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2419546
N-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 138052328
7-[(4,5,6-Trimethylpyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16305025
N-(4,6-Dimethyl-2-pyrimidinyl)-4-oxo-4H-quinolizine-3-carboxamide
CID 15632118
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen
CID 142152353
3-amino-2-(4,6-dimethylpyrimidin-2-yl)-N-methylprop-2-enamide
CID 173754887
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 1409063
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide
CID 1409079
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 1648982
N-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3390229
N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3396190
3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5006851

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3589326) is N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cc(C)nc(NC(=O)c2cnc3sccn3c2=O)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is BLASLMNCJXZFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c1-7-5-8(2)16-12(15-7)17-10(19)9-6-14-13-18(11(9)20)3-4-21-13/h3-6H,1-2H3,(H,15,16,17,19).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 1.42, 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)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3589326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).