6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide

C15H17N5O2S — CID 110272207

IUPAC6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(N)=O)nc(C2(C)CCCN2C(=O)c2cscn2)n1
InChIInChI=1S/C15H17N5O2S/c1-9-6-10(12(16)21)19-14(18-9)15(2)4-3-5-20(15)13(22)11-7-23-8-17-11/h6-8H,3-5H2,1-2H3,(H2,16,21)
InChIKeyMYGYSAFYWLQOPT-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.49
Rot. Bonds3

About 6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide

6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide (PubChem CID 110272207) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
PubChem CID110272207
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(N)=O)nc(C2(C)CCCN2C(=O)c2cscn2)n1
InChIInChI=1S/C15H17N5O2S/c1-9-6-10(12(16)21)19-14(18-9)15(2)4-3-5-20(15)13(22)11-7-23-8-17-11/h6-8H,3-5H2,1-2H3,(H2,16,21)
InChIKeyMYGYSAFYWLQOPT-UHFFFAOYSA-N
XLogP1.49
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide
CID 95848209
6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 110272192
2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide
CID 125007591
[(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone
CID 124954186
(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone
CID 127245522
2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 106977186
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 124955168
1-[(2S)-2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 125010972
[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 124941950
1-[(2S)-2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 124956715
N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 95848262
1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone
CID 95848343

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide (CID 110272207) is 6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide is Cc1cc(C(N)=O)nc(C2(C)CCCN2C(=O)c2cscn2)n1.
What is the InChIKey of 6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The InChIKey is MYGYSAFYWLQOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-9-6-10(12(16)21)19-14(18-9)15(2)4-3-5-20(15)13(22)11-7-23-8-17-11/h6-8H,3-5H2,1-2H3,(H2,16,21).
What are the key properties of 6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 110272207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).