4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine

C14H18N4 — CID 65336893

IUPAC4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine
SMILESCC1CCCC1Nc1ncnc2cc(N)ccc12
InChIInChI=1S/C14H18N4/c1-9-3-2-4-12(9)18-14-11-6-5-10(15)7-13(11)16-8-17-14/h5-9,12H,2-4,15H2,1H3,(H,16,17,18)
InChIKeyZZZSSEAPUNXTMX-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.81
Rot. Bonds2

About 4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine

4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine (PubChem CID 65336893) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine
PubChem CID65336893
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine
SMILESCC1CCCC1Nc1ncnc2cc(N)ccc12
InChIInChI=1S/C14H18N4/c1-9-3-2-4-12(9)18-14-11-6-5-10(15)7-13(11)16-8-17-14/h5-9,12H,2-4,15H2,1H3,(H,16,17,18)
InChIKeyZZZSSEAPUNXTMX-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.81
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-(2-methylcyclopentyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine (CID 65336893) is 4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine is CC1CCCC1Nc1ncnc2cc(N)ccc12.
What is the InChIKey of 4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine?
The InChIKey is ZZZSSEAPUNXTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9-3-2-4-12(9)18-14-11-6-5-10(15)7-13(11)16-8-17-14/h5-9,12H,2-4,15H2,1H3,(H,16,17,18).
What are the key properties of 4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine?
4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylcyclopentyl)quinazoline-4,7-diamine is sourced from PubChem (CID 65336893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).