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

C18H20N6OS — CID 72846834

IUPAC2-(dimethylamino)-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)NCCc1csc(-c2ccncc2)n1
InChIInChI=1S/C18H20N6OS/c1-12-15(10-21-18(22-12)24(2)3)16(25)20-9-6-14-11-26-17(23-14)13-4-7-19-8-5-13/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,25)
InChIKeySLCVBSAKADIDBS-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.34
Rot. Bonds6

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

2-(dimethylamino)-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 72846834) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID72846834
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name2-(dimethylamino)-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)NCCc1csc(-c2ccncc2)n1
InChIInChI=1S/C18H20N6OS/c1-12-15(10-21-18(22-12)24(2)3)16(25)20-9-6-14-11-26-17(23-14)13-4-7-19-8-5-13/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,25)
InChIKeySLCVBSAKADIDBS-UHFFFAOYSA-N
XLogP2.34
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (CID 72846834) is 2-(dimethylamino)-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is Cc1nc(N(C)C)ncc1C(=O)NCCc1csc(-c2ccncc2)n1.
What is the InChIKey of 2-(dimethylamino)-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is SLCVBSAKADIDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-12-15(10-21-18(22-12)24(2)3)16(25)20-9-6-14-11-26-17(23-14)13-4-7-19-8-5-13/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,25).
What are the key properties of 2-(dimethylamino)-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
2-(dimethylamino)-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72846834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).