3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide

C19H26N6OS — CID 55705216

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NC2CCN(c3ncccn3)CC2)c(C)n1
InChIInChI=1S/C19H26N6OS/c1-13-16(14(2)23-19(22-13)27-3)5-6-17(26)24-15-7-11-25(12-8-15)18-20-9-4-10-21-18/h4,9-10,15H,5-8,11-12H2,1-3H3,(H,24,26)
InChIKeyGCOKYXWGWNHLLQ-UHFFFAOYSA-N
MW386.53 g/mol
LogP2.32
Rot. Bonds6

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide (PubChem CID 55705216) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
PubChem CID55705216
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NC2CCN(c3ncccn3)CC2)c(C)n1
InChIInChI=1S/C19H26N6OS/c1-13-16(14(2)23-19(22-13)27-3)5-6-17(26)24-15-7-11-25(12-8-15)18-20-9-4-10-21-18/h4,9-10,15H,5-8,11-12H2,1-3H3,(H,24,26)
InChIKeyGCOKYXWGWNHLLQ-UHFFFAOYSA-N
XLogP2.32
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 55933326
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 55705370
4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 47047200
[2-(cyclopentylamino)-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
CID 8530453
2-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]sulfanylacetic acid
CID 104569240
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 55802738
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574
2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705364
2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 140936797
2-(2,5-dimethylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 154779927
N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 17397593
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide (CID 55705216) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide is CSc1nc(C)c(CCC(=O)NC2CCN(c3ncccn3)CC2)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
The InChIKey is GCOKYXWGWNHLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS/c1-13-16(14(2)23-19(22-13)27-3)5-6-17(26)24-15-7-11-25(12-8-15)18-20-9-4-10-21-18/h4,9-10,15H,5-8,11-12H2,1-3H3,(H,24,26).
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide has a molecular weight of 386.53 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 55705216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).