4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine

C24H22N6 — CID 155555155

IUPAC4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
SMILESc1ccc(N2CCN(c3cc(-c4cccnc4)nc(-c4ccncc4)n3)CC2)cc1
InChIInChI=1S/C24H22N6/c1-2-6-21(7-3-1)29-13-15-30(16-14-29)23-17-22(20-5-4-10-26-18-20)27-24(28-23)19-8-11-25-12-9-19/h1-12,17-18H,13-16H2
InChIKeyVAQIZLKZCVYUEJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.93
Rot. Bonds4

About 4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine

4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine (PubChem CID 155555155) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
PubChem CID155555155
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC Name4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
SMILESc1ccc(N2CCN(c3cc(-c4cccnc4)nc(-c4ccncc4)n3)CC2)cc1
InChIInChI=1S/C24H22N6/c1-2-6-21(7-3-1)29-13-15-30(16-14-29)23-17-22(20-5-4-10-26-18-20)27-24(28-23)19-8-11-25-12-9-19/h1-12,17-18H,13-16H2
InChIKeyVAQIZLKZCVYUEJ-UHFFFAOYSA-N
XLogP3.93
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine (CID 155555155) is 4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine is c1ccc(N2CCN(c3cc(-c4cccnc4)nc(-c4ccncc4)n3)CC2)cc1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine?
The InChIKey is VAQIZLKZCVYUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6/c1-2-6-21(7-3-1)29-13-15-30(16-14-29)23-17-22(20-5-4-10-26-18-20)27-24(28-23)19-8-11-25-12-9-19/h1-12,17-18H,13-16H2.
What are the key properties of 4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine?
4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine has a molecular weight of 394.48 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 155555155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).