N-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

C13H15N5OS — CID 91628617

IUPACN-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cnc(NC(=O)c2cc(N3CCCC3)ncn2)s1
InChIInChI=1S/C13H15N5OS/c1-9-7-14-13(20-9)17-12(19)10-6-11(16-8-15-10)18-4-2-3-5-18/h6-8H,2-5H2,1H3,(H,14,17,19)
InChIKeyYAPJMBKNZVUYMC-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.09
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 91628617) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID91628617
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cnc(NC(=O)c2cc(N3CCCC3)ncn2)s1
InChIInChI=1S/C13H15N5OS/c1-9-7-14-13(20-9)17-12(19)10-6-11(16-8-15-10)18-4-2-3-5-18/h6-8H,2-5H2,1H3,(H,14,17,19)
InChIKeyYAPJMBKNZVUYMC-UHFFFAOYSA-N
XLogP2.09
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 91628617) is N-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is Cc1cnc(NC(=O)c2cc(N3CCCC3)ncn2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is YAPJMBKNZVUYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-9-7-14-13(20-9)17-12(19)10-6-11(16-8-15-10)18-4-2-3-5-18/h6-8H,2-5H2,1H3,(H,14,17,19).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91628617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).