4-N-(2-phenylpropyl)quinazoline-4,7-diamine

C17H18N4 — CID 104591254

IUPAC4-N-(2-phenylpropyl)quinazoline-4,7-diamine
SMILESCC(CNc1ncnc2cc(N)ccc12)c1ccccc1
InChIInChI=1S/C17H18N4/c1-12(13-5-3-2-4-6-13)10-19-17-15-8-7-14(18)9-16(15)20-11-21-17/h2-9,11-12H,10,18H2,1H3,(H,19,20,21)
InChIKeyKITCYGPEWCUDAM-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.43
Rot. Bonds4

About 4-N-(2-phenylpropyl)quinazoline-4,7-diamine

4-N-(2-phenylpropyl)quinazoline-4,7-diamine (PubChem CID 104591254) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-N-(2-phenylpropyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2-phenylpropyl)quinazoline-4,7-diamine
PubChem CID104591254
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-N-(2-phenylpropyl)quinazoline-4,7-diamine
SMILESCC(CNc1ncnc2cc(N)ccc12)c1ccccc1
InChIInChI=1S/C17H18N4/c1-12(13-5-3-2-4-6-13)10-19-17-15-8-7-14(18)9-16(15)20-11-21-17/h2-9,11-12H,10,18H2,1H3,(H,19,20,21)
InChIKeyKITCYGPEWCUDAM-UHFFFAOYSA-N
XLogP3.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
4-N-(2-ethoxypropyl)quinazoline-4,7-diamine
CID 113476962
7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine
CID 166321938
2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol
CID 65336697
5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 113430292
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine
CID 65336916
4-N-(2-ethylhexyl)quinazoline-4,7-diamine
CID 107819800
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104591319
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine
CID 106036460
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-phenylpropyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(2-phenylpropyl)quinazoline-4,7-diamine (CID 104591254) is 4-N-(2-phenylpropyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(2-phenylpropyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(2-phenylpropyl)quinazoline-4,7-diamine is CC(CNc1ncnc2cc(N)ccc12)c1ccccc1.
What is the InChIKey of 4-N-(2-phenylpropyl)quinazoline-4,7-diamine?
The InChIKey is KITCYGPEWCUDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12(13-5-3-2-4-6-13)10-19-17-15-8-7-14(18)9-16(15)20-11-21-17/h2-9,11-12H,10,18H2,1H3,(H,19,20,21).
What are the key properties of 4-N-(2-phenylpropyl)quinazoline-4,7-diamine?
4-N-(2-phenylpropyl)quinazoline-4,7-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-phenylpropyl)quinazoline-4,7-diamine is sourced from PubChem (CID 104591254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).