4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine

C14H19N5 — CID 65336790

IUPAC4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine
SMILESNc1ccc2c(NCCN3CCCC3)ncnc2c1
InChIInChI=1S/C14H19N5/c15-11-3-4-12-13(9-11)17-10-18-14(12)16-5-8-19-6-1-2-7-19/h3-4,9-10H,1-2,5-8,15H2,(H,16,17,18)
InChIKeyVEXXBZMIKKLPBF-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.72
Rot. Bonds4

About 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine

4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine (PubChem CID 65336790) 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-4,7-diamine.

Molecular Properties

Compound Name4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine
PubChem CID65336790
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine
SMILESNc1ccc2c(NCCN3CCCC3)ncnc2c1
InChIInChI=1S/C14H19N5/c15-11-3-4-12-13(9-11)17-10-18-14(12)16-5-8-19-6-1-2-7-19/h3-4,9-10H,1-2,5-8,15H2,(H,16,17,18)
InChIKeyVEXXBZMIKKLPBF-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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Related Compounds

4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine
CID 65337256
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine
CID 64588487
4-N-piperidin-1-ylquinazoline-4,7-diamine
CID 83005963
4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine
CID 107846044
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012
4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine
CID 113494450
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
6-nitro-N-(2-pyrrolidin-1-ylethyl)quinazolin-4-amine
CID 64588867
1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 87014727
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine
CID 106036940
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine
CID 106036460

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine (CID 65336790) is 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine is Nc1ccc2c(NCCN3CCCC3)ncnc2c1.
What is the InChIKey of 4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine?
The InChIKey is VEXXBZMIKKLPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c15-11-3-4-12-13(9-11)17-10-18-14(12)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-4,7-diamine?
4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-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-4,7-diamine is sourced from PubChem (CID 65336790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).