2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C15H13N5 — CID 3234597

IUPAC2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESc1cncc(CNc2ccnc(-c3cccnc3)n2)c1
InChIInChI=1S/C15H13N5/c1-3-12(9-16-6-1)10-19-14-5-8-18-15(20-14)13-4-2-7-17-11-13/h1-9,11H,10H2,(H,18,19,20)
InChIKeyZPDQUYSJQXIOAP-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.55
Rot. Bonds4

About 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 3234597) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID3234597
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESc1cncc(CNc2ccnc(-c3cccnc3)n2)c1
InChIInChI=1S/C15H13N5/c1-3-12(9-16-6-1)10-19-14-5-8-18-15(20-14)13-4-2-7-17-11-13/h1-9,11H,10H2,(H,18,19,20)
InChIKeyZPDQUYSJQXIOAP-UHFFFAOYSA-N
XLogP2.55
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 3234597) is 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is c1cncc(CNc2ccnc(-c3cccnc3)n2)c1.
What is the InChIKey of 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZPDQUYSJQXIOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c1-3-12(9-16-6-1)10-19-14-5-8-18-15(20-14)13-4-2-7-17-11-13/h1-9,11H,10H2,(H,18,19,20).
What are the key properties of 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 263.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3234597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).