2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

C23H21N7 — CID 5061793

IUPAC2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESc1ccc(-c2cc(N3CCN(c4ccccn4)CC3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C23H21N7/c1-4-10-24-18(7-1)20-17-22(28-23(27-20)19-8-2-5-11-25-19)30-15-13-29(14-16-30)21-9-3-6-12-26-21/h1-12,17H,13-16H2
InChIKeyVNTOXVZWNWAKLW-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.32
Rot. Bonds4

About 2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 5061793) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID5061793
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESc1ccc(-c2cc(N3CCN(c4ccccn4)CC3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C23H21N7/c1-4-10-24-18(7-1)20-17-22(28-23(27-20)19-8-2-5-11-25-19)30-15-13-29(14-16-30)21-9-3-6-12-26-21/h1-12,17H,13-16H2
InChIKeyVNTOXVZWNWAKLW-UHFFFAOYSA-N
XLogP3.32
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (CID 5061793) is 2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is c1ccc(-c2cc(N3CCN(c4ccccn4)CC3)nc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is VNTOXVZWNWAKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7/c1-4-10-24-18(7-1)20-17-22(28-23(27-20)19-8-2-5-11-25-19)30-15-13-29(14-16-30)21-9-3-6-12-26-21/h1-12,17H,13-16H2.
What are the key properties of 2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 395.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 5061793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).