5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine

C10H14ClN3S — CID 80885744

IUPAC5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine
SMILESNc1ncc(Cl)c(SC2CCCCC2)n1
InChIInChI=1S/C10H14ClN3S/c11-8-6-13-10(12)14-9(8)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14)
InChIKeyQCSJGKISIPJKDZ-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.14
Rot. Bonds2

About 5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine

5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine (PubChem CID 80885744) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine
PubChem CID80885744
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine
SMILESNc1ncc(Cl)c(SC2CCCCC2)n1
InChIInChI=1S/C10H14ClN3S/c11-8-6-13-10(12)14-9(8)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14)
InChIKeyQCSJGKISIPJKDZ-UHFFFAOYSA-N
XLogP3.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine (CID 80885744) is 5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine is Nc1ncc(Cl)c(SC2CCCCC2)n1.
What is the InChIKey of 5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine?
The InChIKey is QCSJGKISIPJKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c11-8-6-13-10(12)14-9(8)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14).
What are the key properties of 5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine?
5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine has a molecular weight of 243.76 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclohexylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80885744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).