N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine

C14H11ClN4S — CID 80544634

IUPACN-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine
SMILESCSc1nc(Cl)cc(Nc2cccc3ncccc23)n1
InChIInChI=1S/C14H11ClN4S/c1-20-14-18-12(15)8-13(19-14)17-11-6-2-5-10-9(11)4-3-7-16-10/h2-8H,1H3,(H,17,18,19)
InChIKeyQHJLCQJVHPDFAY-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.14
Rot. Bonds3

About N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine

N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine (PubChem CID 80544634) has the molecular formula C14H11ClN4S and a molecular weight of 302.79 g/mol. Its IUPAC name is N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine.

Molecular Properties

Compound NameN-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine
PubChem CID80544634
Molecular FormulaC14H11ClN4S
Molecular Weight302.79 g/mol
Exact Mass302.04
IUPAC NameN-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine
SMILESCSc1nc(Cl)cc(Nc2cccc3ncccc23)n1
InChIInChI=1S/C14H11ClN4S/c1-20-14-18-12(15)8-13(19-14)17-11-6-2-5-10-9(11)4-3-7-16-10/h2-8H,1H3,(H,17,18,19)
InChIKeyQHJLCQJVHPDFAY-UHFFFAOYSA-N
XLogP4.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine?
The IUPAC name of N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine (CID 80544634) is N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine.
What is the SMILES notation for N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine?
The canonical SMILES for N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine is CSc1nc(Cl)cc(Nc2cccc3ncccc23)n1.
What is the InChIKey of N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine?
The InChIKey is QHJLCQJVHPDFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4S/c1-20-14-18-12(15)8-13(19-14)17-11-6-2-5-10-9(11)4-3-7-16-10/h2-8H,1H3,(H,17,18,19).
What are the key properties of N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine?
N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine has a molecular weight of 302.79 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine is sourced from PubChem (CID 80544634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).