[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone

C17H22N4OS — CID 126889193

IUPAC[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC(N(C)c3cc(C)ncn3)CC2)c1
InChIInChI=1S/C17H22N4OS/c1-12-8-15(23-10-12)17(22)21-6-4-14(5-7-21)20(3)16-9-13(2)18-11-19-16/h8-11,14H,4-7H2,1-3H3
InChIKeyAHELZTROXGHEPR-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.90
Rot. Bonds3

About [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone

[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 126889193) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID126889193
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC(N(C)c3cc(C)ncn3)CC2)c1
InChIInChI=1S/C17H22N4OS/c1-12-8-15(23-10-12)17(22)21-6-4-14(5-7-21)20(3)16-9-13(2)18-11-19-16/h8-11,14H,4-7H2,1-3H3
InChIKeyAHELZTROXGHEPR-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889178
isoquinolin-1-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889202
6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126889556
1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889184
(4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171333775
[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 171336329
4-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126889278
N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889315
(4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162010
3,4-dihydro-1H-isochromen-1-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889247
N-(2,3-dimethoxyphenyl)-4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 171991175
[(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 97414872

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone (CID 126889193) is [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)N2CCC(N(C)c3cc(C)ncn3)CC2)c1.
What is the InChIKey of [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is AHELZTROXGHEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-8-15(23-10-12)17(22)21-6-4-14(5-7-21)20(3)16-9-13(2)18-11-19-16/h8-11,14H,4-7H2,1-3H3.
What are the key properties of [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone has a molecular weight of 330.46 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 126889193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).