4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine

C16H22N4 — CID 64921714

IUPAC4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine
SMILESCCC1CCC(Nc2ncnc3ccc(N)cc23)C1C
InChIInChI=1S/C16H22N4/c1-3-11-4-6-14(10(11)2)20-16-13-8-12(17)5-7-15(13)18-9-19-16/h5,7-11,14H,3-4,6,17H2,1-2H3,(H,18,19,20)
InChIKeyYUSYHMAMURIOPO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.45
Rot. Bonds3

About 4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine

4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine (PubChem CID 64921714) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine
PubChem CID64921714
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine
SMILESCCC1CCC(Nc2ncnc3ccc(N)cc23)C1C
InChIInChI=1S/C16H22N4/c1-3-11-4-6-14(10(11)2)20-16-13-8-12(17)5-7-15(13)18-9-19-16/h5,7-11,14H,3-4,6,17H2,1-2H3,(H,18,19,20)
InChIKeyYUSYHMAMURIOPO-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine (CID 64921714) is 4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine is CCC1CCC(Nc2ncnc3ccc(N)cc23)C1C.
What is the InChIKey of 4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine?
The InChIKey is YUSYHMAMURIOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-11-4-6-14(10(11)2)20-16-13-8-12(17)5-7-15(13)18-9-19-16/h5,7-11,14H,3-4,6,17H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine?
4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine is sourced from PubChem (CID 64921714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).