4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine

C16H22N4 — CID 80803766

IUPAC4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine
SMILESCCC1CCC(Nc2nc(N)nc3ccccc23)CC1
InChIInChI=1S/C16H22N4/c1-2-11-7-9-12(10-8-11)18-15-13-5-3-4-6-14(13)19-16(17)20-15/h3-6,11-12H,2,7-10H2,1H3,(H3,17,18,19,20)
InChIKeyAEDFOOMZXUDSCJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.59
Rot. Bonds3

About 4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine

4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine (PubChem CID 80803766) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine
PubChem CID80803766
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine
SMILESCCC1CCC(Nc2nc(N)nc3ccccc23)CC1
InChIInChI=1S/C16H22N4/c1-2-11-7-9-12(10-8-11)18-15-13-5-3-4-6-14(13)19-16(17)20-15/h3-6,11-12H,2,7-10H2,1H3,(H3,17,18,19,20)
InChIKeyAEDFOOMZXUDSCJ-UHFFFAOYSA-N
XLogP3.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
N-(4-ethylcyclohexyl)-3-methylquinoxalin-2-amine
CID 63539648
N-(4-ethylcyclohexyl)-4-methylphthalazin-1-amine
CID 63540102
4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
CID 80769963
4-N-[(4-methylcyclohexyl)methyl]quinazoline-2,4-diamine
CID 80828289
4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine
CID 80776922
N-cyclopropyl-2-hydrazinylquinazolin-4-amine
CID 80932837
2-[(2-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 80827366
[2-[(2-aminoquinazolin-4-yl)amino]cyclopentyl]methanol
CID 106368086
[2-[(2-aminoquinazolin-4-yl)amino]cyclohexyl]methanol
CID 106368258
4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine
CID 69014190
4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80803663

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine (CID 80803766) is 4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine is CCC1CCC(Nc2nc(N)nc3ccccc23)CC1.
What is the InChIKey of 4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine?
The InChIKey is AEDFOOMZXUDSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-11-7-9-12(10-8-11)18-15-13-5-3-4-6-14(13)19-16(17)20-15/h3-6,11-12H,2,7-10H2,1H3,(H3,17,18,19,20).
What are the key properties of 4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine?
4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80803766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).