4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine

C17H29N3S — CID 3021601

IUPAC4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine
SMILESCc1cc(C)nc(SCCCCCCN2CCCCC2)n1
InChIInChI=1S/C17H29N3S/c1-15-14-16(2)19-17(18-15)21-13-9-4-3-6-10-20-11-7-5-8-12-20/h14H,3-13H2,1-2H3
InChIKeyGUFGDCZFJUEKCL-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.23
Rot. Bonds8

About 4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine

4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine (PubChem CID 3021601) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine
PubChem CID3021601
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine
SMILESCc1cc(C)nc(SCCCCCCN2CCCCC2)n1
InChIInChI=1S/C17H29N3S/c1-15-14-16(2)19-17(18-15)21-13-9-4-3-6-10-20-11-7-5-8-12-20/h14H,3-13H2,1-2H3
InChIKeyGUFGDCZFJUEKCL-UHFFFAOYSA-N
XLogP4.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,6-Dimethyl-2-(methylsulfanyl)pyrimidine
CID 12343174
(4,5-Dihydro-thiazol-2-yl)-(4,6-dimethyl-pyrimidin-2-yl)-amine
CID 899477
2-({[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}sulfanyl)-4,6-dimethylpyrimidine
CID 802777
3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-dimethylpropanamide
CID 653464
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 695459
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 975959
2-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 4335113
N,N-diethyl-4,6-dimethylpyrimidin-2-amine
CID 4181181
Pyrimidine, 2,2'-(1,4-butanediylbis(thio))bis(4,6-dimethyl-
CID 203670
4-Pyrimidinamine, 2-((1-methylethyl)thio)-N,N,6-trimethyl-
CID 660772
Pyrimidine, 2,2'-(1,3-propanediylbis(thio))bis(4,6-dimethyl-
CID 203669
4-{2-[(4,6-Dimethyl-2-pyrimidinyl)thio]ethyl}morpholine hydrochloride
CID 2843233

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine?
The IUPAC name of 4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine (CID 3021601) is 4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine is Cc1cc(C)nc(SCCCCCCN2CCCCC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine?
The InChIKey is GUFGDCZFJUEKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-15-14-16(2)19-17(18-15)21-13-9-4-3-6-10-20-11-7-5-8-12-20/h14H,3-13H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine?
4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine has a molecular weight of 307.51 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(6-piperidin-1-ylhexylsulfanyl)pyrimidine is sourced from PubChem (CID 3021601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).