4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine

C13H11N5S — CID 64588143

IUPAC4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine
SMILESCc1cnc(Sc2ncnc3ccc(N)cc23)nc1
InChIInChI=1S/C13H11N5S/c1-8-5-15-13(16-6-8)19-12-10-4-9(14)2-3-11(10)17-7-18-12/h2-7H,14H2,1H3
InChIKeyUDVXIXYWOASCLB-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.46
Rot. Bonds2

About 4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine

4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine (PubChem CID 64588143) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine.

Molecular Properties

Compound Name4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine
PubChem CID64588143
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC Name4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine
SMILESCc1cnc(Sc2ncnc3ccc(N)cc23)nc1
InChIInChI=1S/C13H11N5S/c1-8-5-15-13(16-6-8)19-12-10-4-9(14)2-3-11(10)17-7-18-12/h2-7H,14H2,1H3
InChIKeyUDVXIXYWOASCLB-UHFFFAOYSA-N
XLogP2.46
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)sulfanylquinazolin-6-amine?
The IUPAC name of 4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine (CID 64588143) is 4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine.
What is the SMILES notation for 4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine?
The canonical SMILES for 4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine is Cc1cnc(Sc2ncnc3ccc(N)cc23)nc1.
What is the InChIKey of 4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine?
The InChIKey is UDVXIXYWOASCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c1-8-5-15-13(16-6-8)19-12-10-4-9(14)2-3-11(10)17-7-18-12/h2-7H,14H2,1H3.
What are the key properties of 4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine?
4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine has a molecular weight of 269.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine is sourced from PubChem (CID 64588143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).