2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide

C18H20N6OS — CID 91789629

IUPAC2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2csc(-c3cccnc3)n2)nc(N)n1
InChIInChI=1S/C18H20N6OS/c1-11(2)14-8-15(24-18(19)23-14)16(25)21-7-5-13-10-26-17(22-13)12-4-3-6-20-9-12/h3-4,6,8-11H,5,7H2,1-2H3,(H,21,25)(H2,19,23,24)
InChIKeyDYJGKGXLOSRYJV-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.67
Rot. Bonds6

About 2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide

2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 91789629) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID91789629
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2csc(-c3cccnc3)n2)nc(N)n1
InChIInChI=1S/C18H20N6OS/c1-11(2)14-8-15(24-18(19)23-14)16(25)21-7-5-13-10-26-17(22-13)12-4-3-6-20-9-12/h3-4,6,8-11H,5,7H2,1-2H3,(H,21,25)(H2,19,23,24)
InChIKeyDYJGKGXLOSRYJV-UHFFFAOYSA-N
XLogP2.67
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
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N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide
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2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide
CID 77092872
2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
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2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
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N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
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N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide (CID 91789629) is 2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide is CC(C)c1cc(C(=O)NCCc2csc(-c3cccnc3)n2)nc(N)n1.
What is the InChIKey of 2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is DYJGKGXLOSRYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-11(2)14-8-15(24-18(19)23-14)16(25)21-7-5-13-10-26-17(22-13)12-4-3-6-20-9-12/h3-4,6,8-11H,5,7H2,1-2H3,(H,21,25)(H2,19,23,24).
What are the key properties of 2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide?
2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 91789629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).