[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone

C19H24N4OS — CID 155981854

IUPAC[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCCC(N(C)c3ncc(C)cn3)C2)cc1
InChIInChI=1S/C19H24N4OS/c1-14-11-20-19(21-12-14)22(2)16-5-4-10-23(13-16)18(24)15-6-8-17(25-3)9-7-15/h6-9,11-12,16H,4-5,10,13H2,1-3H3
InChIKeyQFJNQWBMHMRSCF-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.25
Rot. Bonds4

About [3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone

[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone (PubChem CID 155981854) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is [3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
PubChem CID155981854
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCCC(N(C)c3ncc(C)cn3)C2)cc1
InChIInChI=1S/C19H24N4OS/c1-14-11-20-19(21-12-14)22(2)16-5-4-10-23(13-16)18(24)15-6-8-17(25-3)9-7-15/h6-9,11-12,16H,4-5,10,13H2,1-3H3
InChIKeyQFJNQWBMHMRSCF-UHFFFAOYSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carbonyl]benzonitrile
CID 155981841
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 155981928
(3-bromopyrrolidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 80678075
[3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidin-1-yl]-phenylmethanone
CID 18332676
(4-chloropiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 79205656
(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 63393268
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 110802860
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(6-iodo-3-pyridinyl)methanone
CID 134405988
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119

Frequently Asked Questions

What is the IUPAC name of [3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone (CID 155981854) is [3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)N2CCCC(N(C)c3ncc(C)cn3)C2)cc1.
What is the InChIKey of [3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is QFJNQWBMHMRSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-14-11-20-19(21-12-14)22(2)16-5-4-10-23(13-16)18(24)15-6-8-17(25-3)9-7-15/h6-9,11-12,16H,4-5,10,13H2,1-3H3.
What are the key properties of [3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone?
[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 356.50 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 155981854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).