4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine

C21H21FN4 — CID 4081898

IUPAC4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
SMILESCN1CCN(c2cc(-c3ccc(F)cc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H21FN4/c1-25-11-13-26(14-12-25)20-15-19(16-7-9-18(22)10-8-16)23-21(24-20)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyATLPSDSFPWZFMI-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.70
Rot. Bonds3

About 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine

4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine (PubChem CID 4081898) has the molecular formula C21H21FN4 and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
PubChem CID4081898
Molecular FormulaC21H21FN4
Molecular Weight348.43 g/mol
Exact Mass348.18
IUPAC Name4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
SMILESCN1CCN(c2cc(-c3ccc(F)cc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H21FN4/c1-25-11-13-26(14-12-25)20-15-19(16-7-9-18(22)10-8-16)23-21(24-20)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyATLPSDSFPWZFMI-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Blonanserin
CID 125564
Revaprazan
CID 204104
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
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
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
Revaprazan Hydrochloride
CID 204103
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine (CID 4081898) is 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine is CN1CCN(c2cc(-c3ccc(F)cc3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
The InChIKey is ATLPSDSFPWZFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4/c1-25-11-13-26(14-12-25)20-15-19(16-7-9-18(22)10-8-16)23-21(24-20)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine?
4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine has a molecular weight of 348.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine is sourced from PubChem (CID 4081898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).