4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine

C14H18N4 — CID 113488590

IUPAC4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine
SMILESCCC1(Nc2ncnc3ccc(N)cc23)CCC1
InChIInChI=1S/C14H18N4/c1-2-14(6-3-7-14)18-13-11-8-10(15)4-5-12(11)16-9-17-13/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,16,17,18)
InChIKeyWNTBNGCPNFIZJT-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.96
Rot. Bonds3

About 4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine

4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine (PubChem CID 113488590) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine
PubChem CID113488590
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine
SMILESCCC1(Nc2ncnc3ccc(N)cc23)CCC1
InChIInChI=1S/C14H18N4/c1-2-14(6-3-7-14)18-13-11-8-10(15)4-5-12(11)16-9-17-13/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,16,17,18)
InChIKeyWNTBNGCPNFIZJT-UHFFFAOYSA-N
XLogP2.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine (CID 113488590) is 4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine is CCC1(Nc2ncnc3ccc(N)cc23)CCC1.
What is the InChIKey of 4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine?
The InChIKey is WNTBNGCPNFIZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-14(6-3-7-14)18-13-11-8-10(15)4-5-12(11)16-9-17-13/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,16,17,18).
What are the key properties of 4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine?
4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine is sourced from PubChem (CID 113488590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).