N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine

C13H21N3S — CID 64718239

IUPACN-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine
SMILESCCCNC1CCCC(Sc2ncccn2)C1
InChIInChI=1S/C13H21N3S/c1-2-7-14-11-5-3-6-12(10-11)17-13-15-8-4-9-16-13/h4,8-9,11-12,14H,2-3,5-7,10H2,1H3
InChIKeyOTFMRFAZJSNJBZ-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.88
Rot. Bonds5

About N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine

N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine (PubChem CID 64718239) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine
PubChem CID64718239
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine
SMILESCCCNC1CCCC(Sc2ncccn2)C1
InChIInChI=1S/C13H21N3S/c1-2-7-14-11-5-3-6-12(10-11)17-13-15-8-4-9-16-13/h4,8-9,11-12,14H,2-3,5-7,10H2,1H3
InChIKeyOTFMRFAZJSNJBZ-UHFFFAOYSA-N
XLogP2.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 64722413
3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64718245
3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64718224
3-(2-nitrophenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64717794
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-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 107783909
3-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64723881
3-[(3-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
CID 64722014
1-(propylamino)-3-pyrimidin-2-ylsulfanylcyclohexane-1-carbonitrile
CID 79636245
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine
CID 79737789
N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine
CID 64724101

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine?
The IUPAC name of N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine (CID 64718239) is N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine is CCCNC1CCCC(Sc2ncccn2)C1.
What is the InChIKey of N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine?
The InChIKey is OTFMRFAZJSNJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-7-14-11-5-3-6-12(10-11)17-13-15-8-4-9-16-13/h4,8-9,11-12,14H,2-3,5-7,10H2,1H3.
What are the key properties of N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine?
N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine has a molecular weight of 251.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 64718239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).