4-cyclohexylquinazolin-2-amine

C14H17N3 — CID 66520631

IUPAC4-cyclohexylquinazolin-2-amine
SMILESNc1nc(C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C14H17N3/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,15,16,17)
InChIKeyTUXPXGRZCKHJQA-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.26
Rot. Bonds1

About 4-cyclohexylquinazolin-2-amine

4-cyclohexylquinazolin-2-amine (PubChem CID 66520631) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-cyclohexylquinazolin-2-amine.

Molecular Properties

Compound Name4-cyclohexylquinazolin-2-amine
PubChem CID66520631
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-cyclohexylquinazolin-2-amine
SMILESNc1nc(C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C14H17N3/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,15,16,17)
InChIKeyTUXPXGRZCKHJQA-UHFFFAOYSA-N
XLogP3.26
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylquinazolin-2-amine?
The IUPAC name of 4-cyclohexylquinazolin-2-amine (CID 66520631) is 4-cyclohexylquinazolin-2-amine.
What is the SMILES notation for 4-cyclohexylquinazolin-2-amine?
The canonical SMILES for 4-cyclohexylquinazolin-2-amine is Nc1nc(C2CCCCC2)c2ccccc2n1.
What is the InChIKey of 4-cyclohexylquinazolin-2-amine?
The InChIKey is TUXPXGRZCKHJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,15,16,17).
What are the key properties of 4-cyclohexylquinazolin-2-amine?
4-cyclohexylquinazolin-2-amine has a molecular weight of 227.31 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylquinazolin-2-amine is sourced from PubChem (CID 66520631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).