4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

C19H27N5OS — CID 124987825

IUPAC4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)cs2)nc([C@@H]2CCCN(C3CCOCC3)C2)n1
InChIInChI=1S/C19H27N5OS/c1-13-10-17(23-19-21-14(2)12-26-19)22-18(20-13)15-4-3-7-24(11-15)16-5-8-25-9-6-16/h10,12,15-16H,3-9,11H2,1-2H3,(H,20,21,22,23)/t15-/m1/s1
InChIKeyOITUUWMDLNYNME-OAHLLOKOSA-N
MW373.53 g/mol
LogP3.65
Rot. Bonds4

About 4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 124987825) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is 4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID124987825
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)cs2)nc([C@@H]2CCCN(C3CCOCC3)C2)n1
InChIInChI=1S/C19H27N5OS/c1-13-10-17(23-19-21-14(2)12-26-19)22-18(20-13)15-4-3-7-24(11-15)16-5-8-25-9-6-16/h10,12,15-16H,3-9,11H2,1-2H3,(H,20,21,22,23)/t15-/m1/s1
InChIKeyOITUUWMDLNYNME-OAHLLOKOSA-N
XLogP3.65
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 125014641
2-hydroxy-1-[3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110095412
4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 110095024
[(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 125008719
N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine
CID 124998034
4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110095386
2-methoxy-1-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110269592
N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 124985635
4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine
CID 124641598
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72890644
(3S)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97198838

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 124987825) is 4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCCN(C3CCOCC3)C2)n1.
What is the InChIKey of 4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is OITUUWMDLNYNME-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-13-10-17(23-19-21-14(2)12-26-19)22-18(20-13)15-4-3-7-24(11-15)16-5-8-25-9-6-16/h10,12,15-16H,3-9,11H2,1-2H3,(H,20,21,22,23)/t15-/m1/s1.
What are the key properties of 4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 373.53 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 124987825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).