4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine

C20H19ClN4 — CID 2218329

IUPAC4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine
SMILESClc1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19ClN4/c21-18-15-19(23-20(22-18)16-7-3-1-4-8-16)25-13-11-24(12-14-25)17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyZBOQXUJWNNGGFM-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.12
Rot. Bonds3

About 4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine

4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine (PubChem CID 2218329) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is 4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine
PubChem CID2218329
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC Name4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine
SMILESClc1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19ClN4/c21-18-15-19(23-20(22-18)16-7-3-1-4-8-16)25-13-11-24(12-14-25)17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyZBOQXUJWNNGGFM-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine
CID 115914646
4-[6-(4-formylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112881060
2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114799174
4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine
CID 95929569
6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline
CID 3619803
4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 175342274
4-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenyl-6-(propan-2-ylsulfanylmethyl)pyrimidine
CID 3768931
2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112879979
[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 115914691
4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112934251
1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine
CID 163525747
1-[4-chloro-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-ethylthiourea
CID 100774446

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine (CID 2218329) is 4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine is Clc1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is ZBOQXUJWNNGGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4/c21-18-15-19(23-20(22-18)16-7-3-1-4-8-16)25-13-11-24(12-14-25)17-9-5-2-6-10-17/h1-10,15H,11-14H2.
What are the key properties of 4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 350.85 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 2218329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).