N'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine

C14H17N5 — CID 174050834

IUPACN'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine
SMILESNC=CNc1nc(N2CCCC2)c2ccccc2n1
InChIInChI=1S/C14H17N5/c15-7-8-16-14-17-12-6-2-1-5-11(12)13(18-14)19-9-3-4-10-19/h1-2,5-8H,3-4,9-10,15H2,(H,16,17,18)
InChIKeyDPKZGIANDYCNTJ-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.07
Rot. Bonds3

About N'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine

N'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine (PubChem CID 174050834) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is N'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine.

Molecular Properties

Compound NameN'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine
PubChem CID174050834
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC NameN'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine
SMILESNC=CNc1nc(N2CCCC2)c2ccccc2n1
InChIInChI=1S/C14H17N5/c15-7-8-16-14-17-12-6-2-1-5-11(12)13(18-14)19-9-3-4-10-19/h1-2,5-8H,3-4,9-10,15H2,(H,16,17,18)
InChIKeyDPKZGIANDYCNTJ-UHFFFAOYSA-N
XLogP2.07
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine?
The IUPAC name of N'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine (CID 174050834) is N'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine.
What is the SMILES notation for N'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine?
The canonical SMILES for N'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine is NC=CNc1nc(N2CCCC2)c2ccccc2n1.
What is the InChIKey of N'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine?
The InChIKey is DPKZGIANDYCNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c15-7-8-16-14-17-12-6-2-1-5-11(12)13(18-14)19-9-3-4-10-19/h1-2,5-8H,3-4,9-10,15H2,(H,16,17,18).
What are the key properties of N'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine?
N'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine has a molecular weight of 255.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-pyrrolidin-1-ylquinazolin-2-yl)ethene-1,2-diamine is sourced from PubChem (CID 174050834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).