4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine

C17H24N4 — CID 80826905

IUPAC4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NC2CC(C)CC(C)C2)c2ccccc2n1
InChIInChI=1S/C17H24N4/c1-11-8-12(2)10-13(9-11)19-16-14-6-4-5-7-15(14)20-17(18-3)21-16/h4-7,11-13H,8-10H2,1-3H3,(H2,18,19,20,21)
InChIKeyJNWNQQOIXWXUDI-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.91
Rot. Bonds3

About 4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine

4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine (PubChem CID 80826905) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine
PubChem CID80826905
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NC2CC(C)CC(C)C2)c2ccccc2n1
InChIInChI=1S/C17H24N4/c1-11-8-12(2)10-13(9-11)19-16-14-6-4-5-7-15(14)20-17(18-3)21-16/h4-7,11-13H,8-10H2,1-3H3,(H2,18,19,20,21)
InChIKeyJNWNQQOIXWXUDI-UHFFFAOYSA-N
XLogP3.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine
CID 80909090
2-N-methyl-4-N-(2-methylcyclopropyl)quinazoline-2,4-diamine
CID 80827050
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
CID 80826223
4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 80770402
2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine
CID 80829880
2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol
CID 114632932
N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine
CID 64731715
N-cyclopropyl-2-hydrazinylquinazolin-4-amine
CID 80932837
4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
CID 80769963
2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine
CID 80791505
N-(2,4-dimethylcyclohexyl)-2-hydrazinylquinazolin-4-amine
CID 80907681
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine (CID 80826905) is 4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine is CNc1nc(NC2CC(C)CC(C)C2)c2ccccc2n1.
What is the InChIKey of 4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine?
The InChIKey is JNWNQQOIXWXUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-11-8-12(2)10-13(9-11)19-16-14-6-4-5-7-15(14)20-17(18-3)21-16/h4-7,11-13H,8-10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine?
4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylcyclohexyl)-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80826905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).