2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide

C16H16N6OS — CID 91778133

IUPAC2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)NCCc1csc(-c2ccncc2)n1
InChIInChI=1S/C16H16N6OS/c1-10-13(8-20-16(17)21-10)14(23)19-7-4-12-9-24-15(22-12)11-2-5-18-6-3-11/h2-3,5-6,8-9H,4,7H2,1H3,(H,19,23)(H2,17,20,21)
InChIKeyYFWVDZONEOGZMK-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.86
Rot. Bonds5

About 2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide

2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 91778133) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID91778133
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)NCCc1csc(-c2ccncc2)n1
InChIInChI=1S/C16H16N6OS/c1-10-13(8-20-16(17)21-10)14(23)19-7-4-12-9-24-15(22-12)11-2-5-18-6-3-11/h2-3,5-6,8-9H,4,7H2,1H3,(H,19,23)(H2,17,20,21)
InChIKeyYFWVDZONEOGZMK-UHFFFAOYSA-N
XLogP1.86
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (CID 91778133) is 2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is Cc1nc(N)ncc1C(=O)NCCc1csc(-c2ccncc2)n1.
What is the InChIKey of 2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is YFWVDZONEOGZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-10-13(8-20-16(17)21-10)14(23)19-7-4-12-9-24-15(22-12)11-2-5-18-6-3-11/h2-3,5-6,8-9H,4,7H2,1H3,(H,19,23)(H2,17,20,21).
What are the key properties of 2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 91778133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).