4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

C18H21N7S — CID 125014641

IUPAC4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)cs2)nc([C@H]2CCCN(c3cnccn3)C2)n1
InChIInChI=1S/C18H21N7S/c1-12-8-15(24-18-22-13(2)11-26-18)23-17(21-12)14-4-3-7-25(10-14)16-9-19-5-6-20-16/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,21,22,23,24)/t14-/m0/s1
InChIKeyWNVSAOPHOAZVCP-AWEZNQCLSA-N
MW367.48 g/mol
LogP3.47
Rot. Bonds4

About 4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 125014641) has the molecular formula C18H21N7S and a molecular weight of 367.48 g/mol. Its IUPAC name is 4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID125014641
Molecular FormulaC18H21N7S
Molecular Weight367.48 g/mol
Exact Mass367.16
IUPAC Name4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)cs2)nc([C@H]2CCCN(c3cnccn3)C2)n1
InChIInChI=1S/C18H21N7S/c1-12-8-15(24-18-22-13(2)11-26-18)23-17(21-12)14-4-3-7-25(10-14)16-9-19-5-6-20-16/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,21,22,23,24)/t14-/m0/s1
InChIKeyWNVSAOPHOAZVCP-AWEZNQCLSA-N
XLogP3.47
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 125008719
4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 95842295
4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124987825
2-amino-1-[(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 124966798
6-methyl-2-[(3R)-1-methylpiperidin-3-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820185
N-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 155985361
2-hydroxy-1-[3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110095412
N,N,6-trimethyl-2-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]pyrimidin-4-amine
CID 95817004
4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 110095024
N-methyl-6-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]pyrazin-2-amine
CID 95840808
4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole
CID 133272186
N-methyl-6-(1-pyrazin-2-ylpiperidin-3-yl)pyridin-2-amine
CID 110269026

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 125014641) is 4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCCN(c3cnccn3)C2)n1.
What is the InChIKey of 4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is WNVSAOPHOAZVCP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N7S/c1-12-8-15(24-18-22-13(2)11-26-18)23-17(21-12)14-4-3-7-25(10-14)16-9-19-5-6-20-16/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,21,22,23,24)/t14-/m0/s1.
What are the key properties of 4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 367.48 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 125014641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).