(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine

C13H11N5S — CID 62683489

IUPAC(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine
SMILESNCc1nccnc1Sc1ncnc2ccccc12
InChIInChI=1S/C13H11N5S/c14-7-11-13(16-6-5-15-11)19-12-9-3-1-2-4-10(9)17-8-18-12/h1-6,8H,7,14H2
InChIKeyQDOFVDGPNADLMA-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.03
Rot. Bonds3

About (3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine

(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine (PubChem CID 62683489) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is (3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine
PubChem CID62683489
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC Name(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine
SMILESNCc1nccnc1Sc1ncnc2ccccc12
InChIInChI=1S/C13H11N5S/c14-7-11-13(16-6-5-15-11)19-12-9-3-1-2-4-10(9)17-8-18-12/h1-6,8H,7,14H2
InChIKeyQDOFVDGPNADLMA-UHFFFAOYSA-N
XLogP2.03
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine?
The IUPAC name of (3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine (CID 62683489) is (3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine.
What is the SMILES notation for (3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine?
The canonical SMILES for (3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine is NCc1nccnc1Sc1ncnc2ccccc12.
What is the InChIKey of (3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine?
The InChIKey is QDOFVDGPNADLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c14-7-11-13(16-6-5-15-11)19-12-9-3-1-2-4-10(9)17-8-18-12/h1-6,8H,7,14H2.
What are the key properties of (3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine?
(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine has a molecular weight of 269.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine is sourced from PubChem (CID 62683489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).