2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine

C17H18N4 — CID 80798383

IUPAC2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
SMILESCNc1nc(N(C)c2ccc(C)cc2)c2ccccc2n1
InChIInChI=1S/C17H18N4/c1-12-8-10-13(11-9-12)21(3)16-14-6-4-5-7-15(14)19-17(18-2)20-16/h4-11H,1-3H3,(H,18,19,20)
InChIKeyNOSXSCSLOGVBOR-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.75
Rot. Bonds3

About 2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine

2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine (PubChem CID 80798383) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
PubChem CID80798383
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
SMILESCNc1nc(N(C)c2ccc(C)cc2)c2ccccc2n1
InChIInChI=1S/C17H18N4/c1-12-8-10-13(11-9-12)21(3)16-14-6-4-5-7-15(14)19-17(18-2)20-16/h4-11H,1-3H3,(H,18,19,20)
InChIKeyNOSXSCSLOGVBOR-UHFFFAOYSA-N
XLogP3.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine (CID 80798383) is 2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine is CNc1nc(N(C)c2ccc(C)cc2)c2ccccc2n1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is NOSXSCSLOGVBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12-8-10-13(11-9-12)21(3)16-14-6-4-5-7-15(14)19-17(18-2)20-16/h4-11H,1-3H3,(H,18,19,20).
What are the key properties of 2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine?
2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80798383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).