3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine

C14H23N3S — CID 64722413

IUPAC3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(Sc2ncc(C)cn2)C1
InChIInChI=1S/C14H23N3S/c1-3-7-15-12-5-4-6-13(8-12)18-14-16-9-11(2)10-17-14/h9-10,12-13,15H,3-8H2,1-2H3
InChIKeyNNYJXJNLHLLAQH-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.19
Rot. Bonds5

About 3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine

3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine (PubChem CID 64722413) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine
PubChem CID64722413
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(Sc2ncc(C)cn2)C1
InChIInChI=1S/C14H23N3S/c1-3-7-15-12-5-4-6-13(8-12)18-14-16-9-11(2)10-17-14/h9-10,12-13,15H,3-8H2,1-2H3
InChIKeyNNYJXJNLHLLAQH-UHFFFAOYSA-N
XLogP3.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine
CID 64718239
N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine
CID 64724101
3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64718224
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine
CID 64722209
3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine
CID 64716109
3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64718245
3-(2-nitrophenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64717794
3-[(3-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
CID 64722014
2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 79862776
3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64724498
3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 107783909
3-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64723881

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine (CID 64722413) is 3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine is CCCNC1CCCC(Sc2ncc(C)cn2)C1.
What is the InChIKey of 3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine?
The InChIKey is NNYJXJNLHLLAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-7-15-12-5-4-6-13(8-12)18-14-16-9-11(2)10-17-14/h9-10,12-13,15H,3-8H2,1-2H3.
What are the key properties of 3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine?
3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine has a molecular weight of 265.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64722413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).