N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine

C16H27N3S — CID 65041153

IUPACN-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C16H27N3S/c1-5-10-17-14-8-6-7-9-15(14)20-16-18-12(3)11(2)13(4)19-16/h14-15,17H,5-10H2,1-4H3
InChIKeyUJYGWMIGVYSUHB-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.80
Rot. Bonds5

About N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine

N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine (PubChem CID 65041153) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
PubChem CID65041153
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C16H27N3S/c1-5-10-17-14-8-6-7-9-15(14)20-16-18-12(3)11(2)13(4)19-16/h14-15,17H,5-10H2,1-4H3
InChIKeyUJYGWMIGVYSUHB-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64647989
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine
CID 106927686
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine
CID 64628658
2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
CID 64621896
2-phenylsulfanyl-N-propylcyclopentan-1-amine
CID 22486376
2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64649672
N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 64626127
2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine
CID 64627611
2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine
CID 64622142
2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64626801
2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64621770

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine?
The IUPAC name of N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine (CID 65041153) is N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine?
The canonical SMILES for N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine is CCCNC1CCCCC1Sc1nc(C)c(C)c(C)n1.
What is the InChIKey of N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine?
The InChIKey is UJYGWMIGVYSUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-5-10-17-14-8-6-7-9-15(14)20-16-18-12(3)11(2)13(4)19-16/h14-15,17H,5-10H2,1-4H3.
What are the key properties of N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine?
N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 65041153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).