4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine

C14H19N5 — CID 509541

IUPAC4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCN3CCCC3)c2c1
InChIInChI=1S/C14H19N5/c15-11-3-4-13-12(9-11)14(18-10-17-13)16-5-8-19-6-1-2-7-19/h3-4,9-10H,1-2,5-8,15H2,(H,16,17,18)
InChIKeyMNIYCTNUKJEZAX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.72
Rot. Bonds4

About 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine

4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine (PubChem CID 509541) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine
PubChem CID509541
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCN3CCCC3)c2c1
InChIInChI=1S/C14H19N5/c15-11-3-4-13-12(9-11)14(18-10-17-13)16-5-8-19-6-1-2-7-19/h3-4,9-10H,1-2,5-8,15H2,(H,16,17,18)
InChIKeyMNIYCTNUKJEZAX-UHFFFAOYSA-N
XLogP1.72
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine (CID 509541) is 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine is Nc1ccc2ncnc(NCCN3CCCC3)c2c1.
What is the InChIKey of 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine?
The InChIKey is MNIYCTNUKJEZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c15-11-3-4-13-12(9-11)14(18-10-17-13)16-5-8-19-6-1-2-7-19/h3-4,9-10H,1-2,5-8,15H2,(H,16,17,18).
What are the key properties of 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine?
4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine has a molecular weight of 257.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine is sourced from PubChem (CID 509541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).