4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine

C17H18N4 — CID 80783257

IUPAC4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine
SMILESCc1ccc(C(C)Nc2nc(N)nc3ccccc23)cc1
InChIInChI=1S/C17H18N4/c1-11-7-9-13(10-8-11)12(2)19-16-14-5-3-4-6-15(14)20-17(18)21-16/h3-10,12H,1-2H3,(H3,18,19,20,21)
InChIKeyDPFWBAICIKXBOB-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.69
Rot. Bonds3

About 4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine

4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine (PubChem CID 80783257) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine
PubChem CID80783257
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine
SMILESCc1ccc(C(C)Nc2nc(N)nc3ccccc23)cc1
InChIInChI=1S/C17H18N4/c1-11-7-9-13(10-8-11)12(2)19-16-14-5-3-4-6-15(14)20-17(18)21-16/h3-10,12H,1-2H3,(H3,18,19,20,21)
InChIKeyDPFWBAICIKXBOB-UHFFFAOYSA-N
XLogP3.69
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine (CID 80783257) is 4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine is Cc1ccc(C(C)Nc2nc(N)nc3ccccc23)cc1.
What is the InChIKey of 4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine?
The InChIKey is DPFWBAICIKXBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-11-7-9-13(10-8-11)12(2)19-16-14-5-3-4-6-15(14)20-17(18)21-16/h3-10,12H,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine?
4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 80783257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).