4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine

C14H12N4S — CID 103002556

IUPAC4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine
SMILESCc1cnc(Sc2ccnc3cc(N)ccc23)nc1
InChIInChI=1S/C14H12N4S/c1-9-7-17-14(18-8-9)19-13-4-5-16-12-6-10(15)2-3-11(12)13/h2-8H,15H2,1H3
InChIKeyPMTYDCMILLSADZ-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.07
Rot. Bonds2

About 4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine

4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine (PubChem CID 103002556) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine.

Molecular Properties

Compound Name4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine
PubChem CID103002556
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine
SMILESCc1cnc(Sc2ccnc3cc(N)ccc23)nc1
InChIInChI=1S/C14H12N4S/c1-9-7-17-14(18-8-9)19-13-4-5-16-12-6-10(15)2-3-11(12)13/h2-8H,15H2,1H3
InChIKeyPMTYDCMILLSADZ-UHFFFAOYSA-N
XLogP3.07
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine?
The IUPAC name of 4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine (CID 103002556) is 4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine.
What is the SMILES notation for 4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine?
The canonical SMILES for 4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine is Cc1cnc(Sc2ccnc3cc(N)ccc23)nc1.
What is the InChIKey of 4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine?
The InChIKey is PMTYDCMILLSADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-9-7-17-14(18-8-9)19-13-4-5-16-12-6-10(15)2-3-11(12)13/h2-8H,15H2,1H3.
What are the key properties of 4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine?
4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine has a molecular weight of 268.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine is sourced from PubChem (CID 103002556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).