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

C14H23N3S — CID 64647668

IUPACN-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1Sc1ncccn1
InChIInChI=1S/C14H23N3S/c1-4-15-11-6-7-14(2,3)10-12(11)18-13-16-8-5-9-17-13/h5,8-9,11-12,15H,4,6-7,10H2,1-3H3
InChIKeyFVEQTSXVNCQASB-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.13
Rot. Bonds4

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

N-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine (PubChem CID 64647668) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine
PubChem CID64647668
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1Sc1ncccn1
InChIInChI=1S/C14H23N3S/c1-4-15-11-6-7-14(2,3)10-12(11)18-13-16-8-5-9-17-13/h5,8-9,11-12,15H,4,6-7,10H2,1-3H3
InChIKeyFVEQTSXVNCQASB-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine (CID 64647668) is N-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine is CCNC1CCC(C)(C)CC1Sc1ncccn1.
What is the InChIKey of N-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine?
The InChIKey is FVEQTSXVNCQASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-4-15-11-6-7-14(2,3)10-12(11)18-13-16-8-5-9-17-13/h5,8-9,11-12,15H,4,6-7,10H2,1-3H3.
What are the key properties of N-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine?
N-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine has a molecular weight of 265.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 64647668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).