4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine

C14H13N5 — CID 80773541

IUPAC4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
SMILESNc1nc(NCc2cccnc2)c2ccccc2n1
InChIInChI=1S/C14H13N5/c15-14-18-12-6-2-1-5-11(12)13(19-14)17-9-10-4-3-7-16-8-10/h1-8H,9H2,(H3,15,17,18,19)
InChIKeyZCAYKOYHIGVIIL-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.22
Rot. Bonds3

About 4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine

4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine (PubChem CID 80773541) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
PubChem CID80773541
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
SMILESNc1nc(NCc2cccnc2)c2ccccc2n1
InChIInChI=1S/C14H13N5/c15-14-18-12-6-2-1-5-11(12)13(19-14)17-9-10-4-3-7-16-8-10/h1-8H,9H2,(H3,15,17,18,19)
InChIKeyZCAYKOYHIGVIIL-UHFFFAOYSA-N
XLogP2.22
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine (CID 80773541) is 4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine is Nc1nc(NCc2cccnc2)c2ccccc2n1.
What is the InChIKey of 4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is ZCAYKOYHIGVIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c15-14-18-12-6-2-1-5-11(12)13(19-14)17-9-10-4-3-7-16-8-10/h1-8H,9H2,(H3,15,17,18,19).
What are the key properties of 4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine?
4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 251.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80773541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).