(3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone

C22H22N4O — CID 15950504

IUPAC(3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCN1c1ncccn1
InChIInChI=1S/C22H22N4O/c1-17-16-25(14-15-26(17)22-23-12-5-13-24-22)21(27)20-10-8-19(9-11-20)18-6-3-2-4-7-18/h2-13,17H,14-16H2,1H3
InChIKeyDXAHUFHFRZSFKN-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.49
Rot. Bonds3

About (3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone

(3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone (PubChem CID 15950504) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is (3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone
PubChem CID15950504
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name(3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCN1c1ncccn1
InChIInChI=1S/C22H22N4O/c1-17-16-25(14-15-26(17)22-23-12-5-13-24-22)21(27)20-10-8-19(9-11-20)18-6-3-2-4-7-18/h2-13,17H,14-16H2,1H3
InChIKeyDXAHUFHFRZSFKN-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone?
The IUPAC name of (3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone (CID 15950504) is (3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone?
The canonical SMILES for (3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone is CC1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCN1c1ncccn1.
What is the InChIKey of (3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone?
The InChIKey is DXAHUFHFRZSFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-17-16-25(14-15-26(17)22-23-12-5-13-24-22)21(27)20-10-8-19(9-11-20)18-6-3-2-4-7-18/h2-13,17H,14-16H2,1H3.
What are the key properties of (3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone?
(3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone has a molecular weight of 358.45 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 15950504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).