4-N-(4-propylphenyl)quinazoline-4,6-diamine

C17H18N4 — CID 64589074

IUPAC4-N-(4-propylphenyl)quinazoline-4,6-diamine
SMILESCCCc1ccc(Nc2ncnc3ccc(N)cc23)cc1
InChIInChI=1S/C17H18N4/c1-2-3-12-4-7-14(8-5-12)21-17-15-10-13(18)6-9-16(15)19-11-20-17/h4-11H,2-3,18H2,1H3,(H,19,20,21)
InChIKeyUZFMKMGERQQTTA-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.91
Rot. Bonds4

About 4-N-(4-propylphenyl)quinazoline-4,6-diamine

4-N-(4-propylphenyl)quinazoline-4,6-diamine (PubChem CID 64589074) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-N-(4-propylphenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-propylphenyl)quinazoline-4,6-diamine
PubChem CID64589074
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-N-(4-propylphenyl)quinazoline-4,6-diamine
SMILESCCCc1ccc(Nc2ncnc3ccc(N)cc23)cc1
InChIInChI=1S/C17H18N4/c1-2-3-12-4-7-14(8-5-12)21-17-15-10-13(18)6-9-16(15)19-11-20-17/h4-11H,2-3,18H2,1H3,(H,19,20,21)
InChIKeyUZFMKMGERQQTTA-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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

2-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]acetonitrile
CID 64589511
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide
CID 141333726
6-hydrazinyl-5-methyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80894168
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine
CID 79048465
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine
CID 119045563
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine
CID 69221072
4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine
CID 107643406

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-propylphenyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(4-propylphenyl)quinazoline-4,6-diamine (CID 64589074) is 4-N-(4-propylphenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(4-propylphenyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(4-propylphenyl)quinazoline-4,6-diamine is CCCc1ccc(Nc2ncnc3ccc(N)cc23)cc1.
What is the InChIKey of 4-N-(4-propylphenyl)quinazoline-4,6-diamine?
The InChIKey is UZFMKMGERQQTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-3-12-4-7-14(8-5-12)21-17-15-10-13(18)6-9-16(15)19-11-20-17/h4-11H,2-3,18H2,1H3,(H,19,20,21).
What are the key properties of 4-N-(4-propylphenyl)quinazoline-4,6-diamine?
4-N-(4-propylphenyl)quinazoline-4,6-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-propylphenyl)quinazoline-4,6-diamine is sourced from PubChem (CID 64589074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).