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

C21H22N4 — CID 646531

IUPAC4-methyl-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H22N4/c1-17-16-20(23-21(22-17)18-8-4-2-5-9-18)25-14-12-24(13-15-25)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3
InChIKeyOGEGHNXZKVBMSM-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.78
Rot. Bonds3

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

4-methyl-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine (PubChem CID 646531) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-methyl-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine
PubChem CID646531
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name4-methyl-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H22N4/c1-17-16-20(23-21(22-17)18-8-4-2-5-9-18)25-14-12-24(13-15-25)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3
InChIKeyOGEGHNXZKVBMSM-UHFFFAOYSA-N
XLogP3.78
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Blonanserin
CID 125564
4,6-Diphenylpyrimidin-2-amine
CID 619024
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
Revaprazan
CID 204104
N-Methylquipazine
CID 5013
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
4-Amino-2,6-diphenylpyrimidine
CID 619020
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-methyl-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine (CID 646531) is 4-methyl-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine is Cc1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is OGEGHNXZKVBMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-17-16-20(23-21(22-17)18-8-4-2-5-9-18)25-14-12-24(13-15-25)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3.
What are the key properties of 4-methyl-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
4-methyl-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 330.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 646531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).