4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine

C16H23N3S — CID 107765966

IUPAC4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine
SMILESCCCNc1nc(SCCC(C)C)c2ccccc2n1
InChIInChI=1S/C16H23N3S/c1-4-10-17-16-18-14-8-6-5-7-13(14)15(19-16)20-11-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,18,19)
InChIKeyNXGLXUFDMPSPOW-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.59
Rot. Bonds7

About 4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine

4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine (PubChem CID 107765966) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine.

Molecular Properties

Compound Name4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine
PubChem CID107765966
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine
SMILESCCCNc1nc(SCCC(C)C)c2ccccc2n1
InChIInChI=1S/C16H23N3S/c1-4-10-17-16-18-14-8-6-5-7-13(14)15(19-16)20-11-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,18,19)
InChIKeyNXGLXUFDMPSPOW-UHFFFAOYSA-N
XLogP4.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-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-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine
CID 80753533
(2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol
CID 80835823
N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine
CID 80885003
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913
4-(2-methylpentoxy)-N-propylquinazolin-2-amine
CID 103286409
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylquinazolin-2-amine
CID 80869207
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400
4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107766037
2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170
3-methoxy-2-[[2-(propylamino)quinazolin-4-yl]amino]propan-1-ol
CID 106198698
6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine
CID 107765885
N,N-diethyl-2-(2-hydrazinylquinazolin-4-yl)sulfanylethanamine
CID 80930019

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine?
The IUPAC name of 4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine (CID 107765966) is 4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine.
What is the SMILES notation for 4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine?
The canonical SMILES for 4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine is CCCNc1nc(SCCC(C)C)c2ccccc2n1.
What is the InChIKey of 4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine?
The InChIKey is NXGLXUFDMPSPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-10-17-16-18-14-8-6-5-7-13(14)15(19-16)20-11-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine?
4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine has a molecular weight of 289.45 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine is sourced from PubChem (CID 107765966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).