N'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

C14H14N6 — CID 71452928

IUPACN'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESNCCNc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C14H14N6/c15-4-8-18-14-11-3-7-17-9-12(11)19-13(20-14)10-1-5-16-6-2-10/h1-3,5-7,9H,4,8,15H2,(H,18,19,20)
InChIKeyJHLONFVVTLRHIZ-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.46
Rot. Bonds4

About N'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

N'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 71452928) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is N'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID71452928
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC NameN'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESNCCNc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C14H14N6/c15-4-8-18-14-11-3-7-17-9-12(11)19-13(20-14)10-1-5-16-6-2-10/h1-3,5-7,9H,4,8,15H2,(H,18,19,20)
InChIKeyJHLONFVVTLRHIZ-UHFFFAOYSA-N
XLogP1.46
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 71452928) is N'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is NCCNc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of N'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is JHLONFVVTLRHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c15-4-8-18-14-11-3-7-17-9-12(11)19-13(20-14)10-1-5-16-6-2-10/h1-3,5-7,9H,4,8,15H2,(H,18,19,20).
What are the key properties of N'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
N'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 266.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 71452928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).