2-quinazolin-4-ylsulfanylpyrimidin-5-amine

C12H9N5S — CID 61145477

IUPAC2-quinazolin-4-ylsulfanylpyrimidin-5-amine
SMILESNc1cnc(Sc2ncnc3ccccc23)nc1
InChIInChI=1S/C12H9N5S/c13-8-5-14-12(15-6-8)18-11-9-3-1-2-4-10(9)16-7-17-11/h1-7H,13H2
InChIKeyXRHTVMQPJKHXHY-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.15
Rot. Bonds2

About 2-quinazolin-4-ylsulfanylpyrimidin-5-amine

2-quinazolin-4-ylsulfanylpyrimidin-5-amine (PubChem CID 61145477) has the molecular formula C12H9N5S and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-quinazolin-4-ylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name2-quinazolin-4-ylsulfanylpyrimidin-5-amine
PubChem CID61145477
Molecular FormulaC12H9N5S
Molecular Weight255.31 g/mol
Exact Mass255.06
IUPAC Name2-quinazolin-4-ylsulfanylpyrimidin-5-amine
SMILESNc1cnc(Sc2ncnc3ccccc23)nc1
InChIInChI=1S/C12H9N5S/c13-8-5-14-12(15-6-8)18-11-9-3-1-2-4-10(9)16-7-17-11/h1-7H,13H2
InChIKeyXRHTVMQPJKHXHY-UHFFFAOYSA-N
XLogP2.15
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-quinazolin-4-ylsulfanylpyrimidine-5-carbaldehyde
CID 113388624
(5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine
CID 115490289
4-(5-methylpyrimidin-2-yl)sulfanylquinazolin-6-amine
CID 64588143
3-fluoro-5-quinazolin-4-ylsulfanylaniline
CID 60894924
2-quinazolin-4-ylsulfanylphenol
CID 62026320
4-(5-bromopyrimidin-4-yl)sulfanylquinazoline
CID 66319173
5-bromo-2-quinazolin-4-ylsulfanylaniline
CID 60893837
5-methyl-2-quinazolin-4-ylsulfanylaniline
CID 60894209
5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine
CID 80873514
5-amino-2-quinazolin-4-ylsulfanylbenzamide
CID 61306689
(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine
CID 62683489
4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline
CID 164611705

Frequently Asked Questions

What is the IUPAC name of 2-quinazolin-4-ylsulfanylpyrimidin-5-amine?
The IUPAC name of 2-quinazolin-4-ylsulfanylpyrimidin-5-amine (CID 61145477) is 2-quinazolin-4-ylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 2-quinazolin-4-ylsulfanylpyrimidin-5-amine?
The canonical SMILES for 2-quinazolin-4-ylsulfanylpyrimidin-5-amine is Nc1cnc(Sc2ncnc3ccccc23)nc1.
What is the InChIKey of 2-quinazolin-4-ylsulfanylpyrimidin-5-amine?
The InChIKey is XRHTVMQPJKHXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5S/c13-8-5-14-12(15-6-8)18-11-9-3-1-2-4-10(9)16-7-17-11/h1-7H,13H2.
What are the key properties of 2-quinazolin-4-ylsulfanylpyrimidin-5-amine?
2-quinazolin-4-ylsulfanylpyrimidin-5-amine has a molecular weight of 255.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinazolin-4-ylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 61145477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).