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

C17H19N7OS — CID 72840148

IUPAC2-(dimethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)NCCc1csc(-c2cnccn2)n1
InChIInChI=1S/C17H19N7OS/c1-11-13(8-21-17(22-11)24(2)3)15(25)20-5-4-12-10-26-16(23-12)14-9-18-6-7-19-14/h6-10H,4-5H2,1-3H3,(H,20,25)
InChIKeyAIYDMVMTSFEEAA-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.74
Rot. Bonds6

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

2-(dimethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 72840148) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID72840148
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name2-(dimethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)NCCc1csc(-c2cnccn2)n1
InChIInChI=1S/C17H19N7OS/c1-11-13(8-21-17(22-11)24(2)3)15(25)20-5-4-12-10-26-16(23-12)14-9-18-6-7-19-14/h6-10H,4-5H2,1-3H3,(H,20,25)
InChIKeyAIYDMVMTSFEEAA-UHFFFAOYSA-N
XLogP1.74
TPSA96.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(dimethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 56802180
(4-Ethylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 56819270
(4-Propan-2-ylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 56819271
(4-Ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819383
2-(dimethylamino)-4-methyl-N-{2-[2-(4-pyridinyl)-1,3-thiazol-4-yl]ethyl}-5-pyrimidinecarboxamide
CID 72846834
1-(4-Methyl-2-{[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]amino}pyrimidin-5-yl)ethanone
CID 72857560
2-(ethylamino)-N-{[2-(2-pyrimidinyl)-1,3-thiazol-4-yl]methyl}-5-pyrimidinecarboxamide
CID 72892964
2-(ethylamino)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72925419
2-(ethylamino)-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)-5-pyrimidinecarboxamide
CID 72931734
2-(ethylamino)-N-{2-[2-(2-pyrimidinyl)-1,3-thiazol-4-yl]ethyl}-5-pyrimidinecarboxamide
CID 72938924
(4-Methylpyrimidin-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 118740400
2-Amino-N-[2-(1,3-thiazol-4-YL)ethyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 77093881

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (CID 72840148) is 2-(dimethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is Cc1nc(N(C)C)ncc1C(=O)NCCc1csc(-c2cnccn2)n1.
What is the InChIKey of 2-(dimethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is AIYDMVMTSFEEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-11-13(8-21-17(22-11)24(2)3)15(25)20-5-4-12-10-26-16(23-12)14-9-18-6-7-19-14/h6-10H,4-5H2,1-3H3,(H,20,25).
What are the key properties of 2-(dimethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
2-(dimethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72840148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).