6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione

C21H21FN4O2 — CID 7152283

IUPAC6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(=O)cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O
InChIInChI=1S/C21H21FN4O2/c1-15-4-2-3-5-18(15)26-20(27)14-19(23-21(26)28)25-12-10-24(11-13-25)17-8-6-16(22)7-9-17/h2-9,14H,10-13H2,1H3,(H,23,28)
InChIKeySDUDTIDHHSHKHV-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.30
Rot. Bonds3

About 6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione

6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 7152283) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID7152283
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(=O)cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O
InChIInChI=1S/C21H21FN4O2/c1-15-4-2-3-5-18(15)26-20(27)14-19(23-21(26)28)25-12-10-24(11-13-25)17-8-6-16(22)7-9-17/h2-9,14H,10-13H2,1H3,(H,23,28)
InChIKeySDUDTIDHHSHKHV-UHFFFAOYSA-N
XLogP2.30
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione
CID 5310020
3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 90489792
3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
CID 90489789
3-(4-fluorophenyl)-1-(2-methylphenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione
CID 110587443
3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
CID 45382276
3-(2-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione
CID 4622461
6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 7080709
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione
CID 6941412
1-(2-methylphenyl)-4-phenylpiperazin-2-one
CID 91159394
2-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylaniline
CID 115549903
4-methyl-3-(2-methylphenyl)-1H-benzimidazol-2-one
CID 117209197
1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazine
CID 1377218

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione (CID 7152283) is 6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione is Cc1ccccc1-n1c(=O)cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O.
What is the InChIKey of 6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is SDUDTIDHHSHKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-15-4-2-3-5-18(15)26-20(27)14-19(23-21(26)28)25-12-10-24(11-13-25)17-8-6-16(22)7-9-17/h2-9,14H,10-13H2,1H3,(H,23,28).
What are the key properties of 6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione?
6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 380.42 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 7152283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).