4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine

C17H18N4 — CID 138683087

IUPAC4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine
SMILESCNc1nc(NCc2ccccc2)c2cc(C)ccc2n1
InChIInChI=1S/C17H18N4/c1-12-8-9-15-14(10-12)16(21-17(18-2)20-15)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyJUXOPDVVMIFRQP-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.59
Rot. Bonds4

About 4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine

4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine (PubChem CID 138683087) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine
PubChem CID138683087
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine
SMILESCNc1nc(NCc2ccccc2)c2cc(C)ccc2n1
InChIInChI=1S/C17H18N4/c1-12-8-9-15-14(10-12)16(21-17(18-2)20-15)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyJUXOPDVVMIFRQP-UHFFFAOYSA-N
XLogP3.59
TPSA49.84 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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 25025710
2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine
CID 46224520
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 44818494
N-benzyl-2,6-dimethylquinolin-4-amine
CID 719873
4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 71690802
4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
CID 46224524
N-[[4-(aminomethyl)phenyl]methyl]-6-methyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-amine
CID 69239625
2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine
CID 80796871
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
CID 134520409
N-benzyl-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine
CID 166416021

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine (CID 138683087) is 4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine is CNc1nc(NCc2ccccc2)c2cc(C)ccc2n1.
What is the InChIKey of 4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine?
The InChIKey is JUXOPDVVMIFRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12-8-9-15-14(10-12)16(21-17(18-2)20-15)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine?
4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine is sourced from PubChem (CID 138683087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).