1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine

C14H18N4S — CID 126563159

IUPAC1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine
SMILESCC(C)Sc1ccc2c(N3CC(N)C3)ncnc2c1
InChIInChI=1S/C14H18N4S/c1-9(2)19-11-3-4-12-13(5-11)16-8-17-14(12)18-6-10(15)7-18/h3-5,8-10H,6-7,15H2,1-2H3
InChIKeyQZDOXPYJFNWTOL-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.28
Rot. Bonds3

About 1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine

1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine (PubChem CID 126563159) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine
PubChem CID126563159
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine
SMILESCC(C)Sc1ccc2c(N3CC(N)C3)ncnc2c1
InChIInChI=1S/C14H18N4S/c1-9(2)19-11-3-4-12-13(5-11)16-8-17-14(12)18-6-10(15)7-18/h3-5,8-10H,6-7,15H2,1-2H3
InChIKeyQZDOXPYJFNWTOL-UHFFFAOYSA-N
XLogP2.28
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine
CID 114543048
4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine
CID 103530590
4-(3,5-dimethylpiperidin-1-yl)quinazolin-7-amine
CID 65337141
4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine
CID 103505104
1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride
CID 146077996
1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine
CID 123175816
7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126892462
1-[1-(7-aminoquinazolin-4-yl)piperidin-4-yl]ethanol
CID 106835289
4-(3,4-dihydroxypyrrolidin-1-yl)quinazoline-7-carboxylic acid
CID 106669846
4-(azocan-1-yl)quinazolin-7-amine
CID 65337382
4-(azepan-1-yl)quinazolin-7-amine
CID 65336850
4-(3-ethyl-4-methylpiperazin-1-yl)quinazolin-7-amine
CID 65337182

Frequently Asked Questions

What is the IUPAC name of 1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine?
The IUPAC name of 1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine (CID 126563159) is 1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine.
What is the SMILES notation for 1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine?
The canonical SMILES for 1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine is CC(C)Sc1ccc2c(N3CC(N)C3)ncnc2c1.
What is the InChIKey of 1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine?
The InChIKey is QZDOXPYJFNWTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9(2)19-11-3-4-12-13(5-11)16-8-17-14(12)18-6-10(15)7-18/h3-5,8-10H,6-7,15H2,1-2H3.
What are the key properties of 1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine?
1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine has a molecular weight of 274.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-propan-2-ylsulfanylquinazolin-4-yl)azetidin-3-amine is sourced from PubChem (CID 126563159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).