3-quinazolin-4-ylsulfanylpropan-1-amine

C11H13N3S — CID 60895823

IUPAC3-quinazolin-4-ylsulfanylpropan-1-amine
SMILESNCCCSc1ncnc2ccccc12
InChIInChI=1S/C11H13N3S/c12-6-3-7-15-11-9-4-1-2-5-10(9)13-8-14-11/h1-2,4-5,8H,3,6-7,12H2
InChIKeyIPEYODFZCKSWPA-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.07
Rot. Bonds4

About 3-quinazolin-4-ylsulfanylpropan-1-amine

3-quinazolin-4-ylsulfanylpropan-1-amine (PubChem CID 60895823) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-quinazolin-4-ylsulfanylpropan-1-amine.

Molecular Properties

Compound Name3-quinazolin-4-ylsulfanylpropan-1-amine
PubChem CID60895823
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name3-quinazolin-4-ylsulfanylpropan-1-amine
SMILESNCCCSc1ncnc2ccccc12
InChIInChI=1S/C11H13N3S/c12-6-3-7-15-11-9-4-1-2-5-10(9)13-8-14-11/h1-2,4-5,8H,3,6-7,12H2
InChIKeyIPEYODFZCKSWPA-UHFFFAOYSA-N
XLogP2.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromopropylsulfanyl)quinazoline
CID 60895646
4-(2-phenoxyethylsulfanyl)quinazoline
CID 78761284
3-quinazolin-4-ylsulfanylpropanoic acid
CID 723893
N-(2-methylpropyl)-4-quinazolin-4-ylsulfanylbutan-1-amine
CID 62576995
N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine
CID 64633462
4-[[4-(quinazolin-4-ylsulfanylmethyl)phenyl]methylsulfanyl]quinazoline
CID 4851541
4-(2-methylsulfonylethylsulfanyl)quinazoline
CID 47096866
2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid
CID 106807429
N-(2-quinazolin-4-ylsulfanylethyl)propan-2-amine
CID 61386125
3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine
CID 62778214
4-fluoro-N-(2-quinazolin-4-ylsulfanylethyl)aniline
CID 62579327
4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline
CID 78900458

Frequently Asked Questions

What is the IUPAC name of 3-quinazolin-4-ylsulfanylpropan-1-amine?
The IUPAC name of 3-quinazolin-4-ylsulfanylpropan-1-amine (CID 60895823) is 3-quinazolin-4-ylsulfanylpropan-1-amine.
What is the SMILES notation for 3-quinazolin-4-ylsulfanylpropan-1-amine?
The canonical SMILES for 3-quinazolin-4-ylsulfanylpropan-1-amine is NCCCSc1ncnc2ccccc12.
What is the InChIKey of 3-quinazolin-4-ylsulfanylpropan-1-amine?
The InChIKey is IPEYODFZCKSWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c12-6-3-7-15-11-9-4-1-2-5-10(9)13-8-14-11/h1-2,4-5,8H,3,6-7,12H2.
What are the key properties of 3-quinazolin-4-ylsulfanylpropan-1-amine?
3-quinazolin-4-ylsulfanylpropan-1-amine has a molecular weight of 219.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinazolin-4-ylsulfanylpropan-1-amine is sourced from PubChem (CID 60895823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).