2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine

C18H20N4 — CID 19988741

IUPAC2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine
SMILESCCCNc1nc(Nc2ccccc2C)nc2ccccc12
InChIInChI=1S/C18H20N4/c1-3-12-19-17-14-9-5-7-11-16(14)21-18(22-17)20-15-10-6-4-8-13(15)2/h4-11H,3,12H2,1-2H3,(H2,19,20,21,22)
InChIKeyFHMBYIIWVGHHRU-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.50
Rot. Bonds5

About 2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine

2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine (PubChem CID 19988741) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine
PubChem CID19988741
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine
SMILESCCCNc1nc(Nc2ccccc2C)nc2ccccc12
InChIInChI=1S/C18H20N4/c1-3-12-19-17-14-9-5-7-11-16(14)21-18(22-17)20-15-10-6-4-8-13(15)2/h4-11H,3,12H2,1-2H3,(H2,19,20,21,22)
InChIKeyFHMBYIIWVGHHRU-UHFFFAOYSA-N
XLogP4.50
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine (CID 19988741) is 2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine is CCCNc1nc(Nc2ccccc2C)nc2ccccc12.
What is the InChIKey of 2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine?
The InChIKey is FHMBYIIWVGHHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-3-12-19-17-14-9-5-7-11-16(14)21-18(22-17)20-15-10-6-4-8-13(15)2/h4-11H,3,12H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine?
2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine has a molecular weight of 292.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylphenyl)-4-N-propylquinazoline-2,4-diamine is sourced from PubChem (CID 19988741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).