5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine

C21H18N6 — CID 73211790

IUPAC5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESNc1nc(Cc2cccnc2)nc(Cc2cccnc2)c1-c1cccnc1
InChIInChI=1S/C21H18N6/c22-21-20(17-6-3-9-25-14-17)18(10-15-4-1-7-23-12-15)26-19(27-21)11-16-5-2-8-24-13-16/h1-9,12-14H,10-11H2,(H2,22,26,27)
InChIKeyUHTNAEDGRDTZNB-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.09
Rot. Bonds5

About 5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine

5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 73211790) has the molecular formula C21H18N6 and a molecular weight of 354.42 g/mol. Its IUPAC name is 5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID73211790
Molecular FormulaC21H18N6
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESNc1nc(Cc2cccnc2)nc(Cc2cccnc2)c1-c1cccnc1
InChIInChI=1S/C21H18N6/c22-21-20(17-6-3-9-25-14-17)18(10-15-4-1-7-23-12-15)26-19(27-21)11-16-5-2-8-24-13-16/h1-9,12-14H,10-11H2,(H2,22,26,27)
InChIKeyUHTNAEDGRDTZNB-UHFFFAOYSA-N
XLogP3.09
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 73211790) is 5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine is Nc1nc(Cc2cccnc2)nc(Cc2cccnc2)c1-c1cccnc1.
What is the InChIKey of 5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is UHTNAEDGRDTZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6/c22-21-20(17-6-3-9-25-14-17)18(10-15-4-1-7-23-12-15)26-19(27-21)11-16-5-2-8-24-13-16/h1-9,12-14H,10-11H2,(H2,22,26,27).
What are the key properties of 5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine?
5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 354.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 73211790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).