4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine

C16H21N3O — CID 114342927

IUPAC4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine
SMILESCC1(C)CCC(Oc2nc(N)nc3ccccc23)CC1
InChIInChI=1S/C16H21N3O/c1-16(2)9-7-11(8-10-16)20-14-12-5-3-4-6-13(12)18-15(17)19-14/h3-6,11H,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyAKTRDGIOKCBEQX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.56
Rot. Bonds2

About 4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine

4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine (PubChem CID 114342927) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine.

Molecular Properties

Compound Name4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine
PubChem CID114342927
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine
SMILESCC1(C)CCC(Oc2nc(N)nc3ccccc23)CC1
InChIInChI=1S/C16H21N3O/c1-16(2)9-7-11(8-10-16)20-14-12-5-3-4-6-13(12)18-15(17)19-14/h3-6,11H,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyAKTRDGIOKCBEQX-UHFFFAOYSA-N
XLogP3.56
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclobutyloxyquinazolin-2-amine
CID 80873380
4-(oxolan-3-yloxy)quinazolin-2-amine
CID 80876588
4-(cyclopropylmethoxy)quinazolin-2-amine
CID 80866857
2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline
CID 114341778
4-(oxan-4-ylmethoxy)quinazolin-2-amine
CID 80880152
4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine
CID 80878281
4-(oxolan-3-ylmethoxy)quinazolin-2-amine
CID 80873939
4-(2-methylphenoxy)quinazolin-2-amine
CID 80869397
4-(2-fluorophenoxy)quinazolin-2-amine
CID 80864583
4-cyclopentyloxyquinazoline-2-carboxylic acid
CID 55251807
4-[4-(1-methylcyclopropyl)cyclohexyl]oxyquinazoline
CID 67599694
[4-(oxolan-3-yloxy)quinazolin-2-yl]hydrazine
CID 80921416

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine?
The IUPAC name of 4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine (CID 114342927) is 4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine.
What is the SMILES notation for 4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine?
The canonical SMILES for 4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine is CC1(C)CCC(Oc2nc(N)nc3ccccc23)CC1.
What is the InChIKey of 4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine?
The InChIKey is AKTRDGIOKCBEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2)9-7-11(8-10-16)20-14-12-5-3-4-6-13(12)18-15(17)19-14/h3-6,11H,7-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine?
4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylcyclohexyl)oxyquinazolin-2-amine is sourced from PubChem (CID 114342927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).