N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine

C19H19N3 — CID 91256462

IUPACN-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine
SMILESCc1ccc(C)c(-c2ccc3ncnc(NC4CC4)c3c2)c1
InChIInChI=1S/C19H19N3/c1-12-3-4-13(2)16(9-12)14-5-8-18-17(10-14)19(21-11-20-18)22-15-6-7-15/h3-5,8-11,15H,6-7H2,1-2H3,(H,20,21,22)
InChIKeyNPPVNWFSIBUSOJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.49
Rot. Bonds3

About N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine

N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine (PubChem CID 91256462) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine
PubChem CID91256462
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC NameN-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine
SMILESCc1ccc(C)c(-c2ccc3ncnc(NC4CC4)c3c2)c1
InChIInChI=1S/C19H19N3/c1-12-3-4-13(2)16(9-12)14-5-8-18-17(10-14)19(21-11-20-18)22-15-6-7-15/h3-5,8-11,15H,6-7H2,1-2H3,(H,20,21,22)
InChIKeyNPPVNWFSIBUSOJ-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine?
The IUPAC name of N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine (CID 91256462) is N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine?
The canonical SMILES for N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine is Cc1ccc(C)c(-c2ccc3ncnc(NC4CC4)c3c2)c1.
What is the InChIKey of N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine?
The InChIKey is NPPVNWFSIBUSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-12-3-4-13(2)16(9-12)14-5-8-18-17(10-14)19(21-11-20-18)22-15-6-7-15/h3-5,8-11,15H,6-7H2,1-2H3,(H,20,21,22).
What are the key properties of N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine?
N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine is sourced from PubChem (CID 91256462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).