4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine

C22H23FN4O — CID 1476685

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(N2CCN(c3ccccc3F)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23FN4O/c1-28-16-18-15-21(25-22(24-18)17-7-3-2-4-8-17)27-13-11-26(12-14-27)20-10-6-5-9-19(20)23/h2-10,15H,11-14,16H2,1H3
InChIKeyDWKVFDMUBFCNDS-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.76
Rot. Bonds5

About 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine

4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine (PubChem CID 1476685) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine
PubChem CID1476685
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(N2CCN(c3ccccc3F)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23FN4O/c1-28-16-18-15-21(25-22(24-18)17-7-3-2-4-8-17)27-13-11-26(12-14-27)20-10-6-5-9-19(20)23/h2-10,15H,11-14,16H2,1H3
InChIKeyDWKVFDMUBFCNDS-UHFFFAOYSA-N
XLogP3.76
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(Benzyloxy)methyl]-5-{4-[(2,2-dimethylpropyl)amino]phenyl}pyrimidine-2,4-diamine
CID 11176805
4-(2,6-Diphenyl-pyrimidin-4-yl)-morpholine
CID 656281
1-Ethyl-3-(4-(4-morpholino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl)urea
CID 53236132
4-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-6-methyl-2-phenyl-pyrimidine
CID 1448120
N-isopropyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 1476686
N-allyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 3723355
4-[5-(2-fluorobenzyl)-6-(methoxymethyl)-2-phenyl-4-pyrimidinyl]-N~1~-isopropyltetrahydro-1(2H)-pyrazinecarboxamide
CID 44522170
N-ethyl-4-[6-(methoxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazine-1-carboxamide
CID 44522171
4-Methyl-2-phenyl-6-(4-phenyl-piperazin-1-yl)-pyrimidine
CID 646531
4-[6-(Methoxymethyl)-2-phenylpyrimidin-4-yl]morpholine
CID 1476663
4-(4-Fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
CID 4081898
Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl ether
CID 1476666

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine (CID 1476685) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine is COCc1cc(N2CCN(c3ccccc3F)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine?
The InChIKey is DWKVFDMUBFCNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-28-16-18-15-21(25-22(24-18)17-7-3-2-4-8-17)27-13-11-26(12-14-27)20-10-6-5-9-19(20)23/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine?
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine has a molecular weight of 378.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)-2-phenylpyrimidine is sourced from PubChem (CID 1476685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).