1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone

C16H16N6OS — CID 72857560

IUPAC1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCCc2csc(-c3cnccn3)n2)nc1C
InChIInChI=1S/C16H16N6OS/c1-10-13(11(2)23)7-20-16(21-10)19-4-3-12-9-24-15(22-12)14-8-17-5-6-18-14/h5-9H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyTZDZQCUPBSDWNZ-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.56
Rot. Bonds6

About 1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone

1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone (PubChem CID 72857560) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone
PubChem CID72857560
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCCc2csc(-c3cnccn3)n2)nc1C
InChIInChI=1S/C16H16N6OS/c1-10-13(11(2)23)7-20-16(21-10)19-4-3-12-9-24-15(22-12)14-8-17-5-6-18-14/h5-9H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyTZDZQCUPBSDWNZ-UHFFFAOYSA-N
XLogP2.56
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone with MolForge

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Related Compounds

2-(dimethylamino)-4-methyl-N-{2-[2-(2-pyrazinyl)-1,3-thiazol-4-yl]ethyl}-5-pyrimidinecarboxamide
CID 72840148
2-(dimethylamino)-4-methyl-N-{2-[2-(4-pyridinyl)-1,3-thiazol-4-yl]ethyl}-5-pyrimidinecarboxamide
CID 72846834
1-(2-{[3-(2-Amino-1,3-thiazol-4-YL)propyl]amino}-4-methylpyrimidin-5-YL)ethanone
CID 72933882
1-[2-[(4,5-Dimethyl-1,3-thiazol-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
CID 17121420
4-methyl-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 46976464
1-[4-Methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanone
CID 55119706
1-[4-Methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-5-yl]ethanone
CID 62795191
4-methyl-5-({4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)pyrimidine
CID 70745813
1-(4-Methyl-2-{[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino}pyrimidin-5-yl)ethanone
CID 72936662
1-[4-Methyl-2-(1,3-thiazol-4-yl)pyrimidin-5-yl]ethanone
CID 80492451
2-amino-4-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
CID 91778133
2-(methylthio)-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
CID 91793932

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone (CID 72857560) is 1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone is CC(=O)c1cnc(NCCc2csc(-c3cnccn3)n2)nc1C.
What is the InChIKey of 1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone?
The InChIKey is TZDZQCUPBSDWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-10-13(11(2)23)7-20-16(21-10)19-4-3-12-9-24-15(22-12)14-8-17-5-6-18-14/h5-9H,3-4H2,1-2H3,(H,19,20,21).
What are the key properties of 1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone?
1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone has a molecular weight of 340.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 72857560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).