N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide

C20H26N4OS — CID 95093333

IUPACN-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2cc(N3CCCC[C@H]3C)ncn2)cc1C
InChIInChI=1S/C20H26N4OS/c1-14-7-8-17(10-15(14)2)23-19(25)12-26-20-11-18(21-13-22-20)24-9-5-4-6-16(24)3/h7-8,10-11,13,16H,4-6,9,12H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyMEOKDPFXPFNOKE-MRXNPFEDSA-N
MW370.52 g/mol
LogP4.20
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide

N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide (PubChem CID 95093333) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
PubChem CID95093333
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC NameN-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2cc(N3CCCC[C@H]3C)ncn2)cc1C
InChIInChI=1S/C20H26N4OS/c1-14-7-8-17(10-15(14)2)23-19(25)12-26-20-11-18(21-13-22-20)24-9-5-4-6-16(24)3/h7-8,10-11,13,16H,4-6,9,12H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyMEOKDPFXPFNOKE-MRXNPFEDSA-N
XLogP4.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093369
N-(2-chloro-4-fluorophenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093364
N-(2-chloro-4-fluorophenyl)-2-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53136701
N-(4-bromophenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 50928697
N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 92899128
N-(2,3-dimethylphenyl)-2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 50928699
N-(3-methylphenyl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53012098
N-(3-chloro-4-methylphenyl)-2-(6-thiomorpholin-4-ylpyrimidin-4-yl)sulfanylacetamide
CID 71802605
1-[6-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
CID 50845298
N-(4-fluorophenyl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53136600
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylethanone
CID 53001392
2-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 53136807

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide (CID 95093333) is N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2cc(N3CCCC[C@H]3C)ncn2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide?
The InChIKey is MEOKDPFXPFNOKE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-14-7-8-17(10-15(14)2)23-19(25)12-26-20-11-18(21-13-22-20)24-9-5-4-6-16(24)3/h7-8,10-11,13,16H,4-6,9,12H2,1-3H3,(H,23,25)/t16-/m1/s1.
What are the key properties of N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide?
N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide has a molecular weight of 370.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 95093333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).