N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine

C14H23N3S — CID 64737359

IUPACN-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1Sc1ccncn1
InChIInChI=1S/C14H23N3S/c1-4-16-12-8-10(2)7-11(3)14(12)18-13-5-6-15-9-17-13/h5-6,9-12,14,16H,4,7-8H2,1-3H3
InChIKeyVITBRLKGJUHYNR-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.98
Rot. Bonds4

About N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine (PubChem CID 64737359) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
PubChem CID64737359
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1Sc1ccncn1
InChIInChI=1S/C14H23N3S/c1-4-16-12-8-10(2)7-11(3)14(12)18-13-5-6-15-9-17-13/h5-6,9-12,14,16H,4,7-8H2,1-3H3
InChIKeyVITBRLKGJUHYNR-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734811
N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64735197
N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 64736359
N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64735978
N-ethyl-4-(2-methylbutan-2-yl)-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64627642
N-ethyl-4-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420563
N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine
CID 79862977
2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64735005
2-[(5-bromo-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64734810
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734796
4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64627044
N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine
CID 64628658

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine (CID 64737359) is N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine is CCNC1CC(C)CC(C)C1Sc1ccncn1.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine?
The InChIKey is VITBRLKGJUHYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-4-16-12-8-10(2)7-11(3)14(12)18-13-5-6-15-9-17-13/h5-6,9-12,14,16H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine has a molecular weight of 265.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 64737359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).