2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine

C11H17N3S — CID 65139971

IUPAC2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine
SMILESNc1cnc(CSC2CCCCC2)nc1
InChIInChI=1S/C11H17N3S/c12-9-6-13-11(14-7-9)8-15-10-4-2-1-3-5-10/h6-7,10H,1-5,8,12H2
InChIKeyPNSSZFIXRWRLMK-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.62
Rot. Bonds3

About 2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine

2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine (PubChem CID 65139971) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine
PubChem CID65139971
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine
SMILESNc1cnc(CSC2CCCCC2)nc1
InChIInChI=1S/C11H17N3S/c12-9-6-13-11(14-7-9)8-15-10-4-2-1-3-5-10/h6-7,10H,1-5,8,12H2
InChIKeyPNSSZFIXRWRLMK-UHFFFAOYSA-N
XLogP2.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine?
The IUPAC name of 2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine (CID 65139971) is 2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine?
The canonical SMILES for 2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine is Nc1cnc(CSC2CCCCC2)nc1.
What is the InChIKey of 2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine?
The InChIKey is PNSSZFIXRWRLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c12-9-6-13-11(14-7-9)8-15-10-4-2-1-3-5-10/h6-7,10H,1-5,8,12H2.
What are the key properties of 2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine?
2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine has a molecular weight of 223.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine is sourced from PubChem (CID 65139971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).