4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine

C17H24N4 — CID 80822726

IUPAC4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine
SMILESCC1CCCC(CCNc2nc(N)nc3ccccc23)C1
InChIInChI=1S/C17H24N4/c1-12-5-4-6-13(11-12)9-10-19-16-14-7-2-3-8-15(14)20-17(18)21-16/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H3,18,19,20,21)
InChIKeyRHJAYLFNMFDTTJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.84
Rot. Bonds4

About 4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine

4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine (PubChem CID 80822726) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine
PubChem CID80822726
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine
SMILESCC1CCCC(CCNc2nc(N)nc3ccccc23)C1
InChIInChI=1S/C17H24N4/c1-12-5-4-6-13(11-12)9-10-19-16-14-7-2-3-8-15(14)20-17(18)21-16/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H3,18,19,20,21)
InChIKeyRHJAYLFNMFDTTJ-UHFFFAOYSA-N
XLogP3.84
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-methylcyclohexyl)methyl]quinazoline-2,4-diamine
CID 80828289
N-(2-cyclobutylethyl)-2-hydrazinylquinazolin-4-amine
CID 113479557
N-(2-cyclopentylethyl)-2-hydrazinylquinazolin-4-amine
CID 80898286
N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine
CID 114789119
5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279228
5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80835454
4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine
CID 83027690
4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
CID 80789448
3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine
CID 104540431
4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831388
4-N-(3-ethoxypropyl)quinazoline-2,4-diamine
CID 80773022
4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine
CID 80776922

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine (CID 80822726) is 4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine is CC1CCCC(CCNc2nc(N)nc3ccccc23)C1.
What is the InChIKey of 4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine?
The InChIKey is RHJAYLFNMFDTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12-5-4-6-13(11-12)9-10-19-16-14-7-2-3-8-15(14)20-17(18)21-16/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H3,18,19,20,21).
What are the key properties of 4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine?
4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 80822726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).