1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine

C15H21N5 — CID 23086358

IUPAC1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine
SMILESNCC(N)c1nc(N2CCCCC2)c2ccccc2n1
InChIInChI=1S/C15H21N5/c16-10-12(17)14-18-13-7-3-2-6-11(13)15(19-14)20-8-4-1-5-9-20/h2-3,6-7,12H,1,4-5,8-10,16-17H2
InChIKeyPFKKQZWNABZZIU-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.58
Rot. Bonds3

About 1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine

1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine (PubChem CID 23086358) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine
PubChem CID23086358
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine
SMILESNCC(N)c1nc(N2CCCCC2)c2ccccc2n1
InChIInChI=1S/C15H21N5/c16-10-12(17)14-18-13-7-3-2-6-11(13)15(19-14)20-8-4-1-5-9-20/h2-3,6-7,12H,1,4-5,8-10,16-17H2
InChIKeyPFKKQZWNABZZIU-UHFFFAOYSA-N
XLogP1.58
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine (CID 23086358) is 1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine is NCC(N)c1nc(N2CCCCC2)c2ccccc2n1.
What is the InChIKey of 1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine?
The InChIKey is PFKKQZWNABZZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c16-10-12(17)14-18-13-7-3-2-6-11(13)15(19-14)20-8-4-1-5-9-20/h2-3,6-7,12H,1,4-5,8-10,16-17H2.
What are the key properties of 1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine?
1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine has a molecular weight of 271.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 23086358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).