1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione

C17H19FN4O3 — CID 10132345

IUPAC1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione
SMILESCc1cc(C)cc(N2CCN(C(=O)n3cc(F)c(=O)[nH]c3=O)CC2)c1
InChIInChI=1S/C17H19FN4O3/c1-11-7-12(2)9-13(8-11)20-3-5-21(6-4-20)17(25)22-10-14(18)15(23)19-16(22)24/h7-10H,3-6H2,1-2H3,(H,19,23,24)
InChIKeyLBPNYDCAKSUUNQ-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.08
Rot. Bonds1

About 1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione

1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 10132345) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione
PubChem CID10132345
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione
SMILESCc1cc(C)cc(N2CCN(C(=O)n3cc(F)c(=O)[nH]c3=O)CC2)c1
InChIInChI=1S/C17H19FN4O3/c1-11-7-12(2)9-13(8-11)20-3-5-21(6-4-20)17(25)22-10-14(18)15(23)19-16(22)24/h7-10H,3-6H2,1-2H3,(H,19,23,24)
InChIKeyLBPNYDCAKSUUNQ-UHFFFAOYSA-N
XLogP1.08
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione (CID 10132345) is 1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione is Cc1cc(C)cc(N2CCN(C(=O)n3cc(F)c(=O)[nH]c3=O)CC2)c1.
What is the InChIKey of 1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is LBPNYDCAKSUUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-11-7-12(2)9-13(8-11)20-3-5-21(6-4-20)17(25)22-10-14(18)15(23)19-16(22)24/h7-10H,3-6H2,1-2H3,(H,19,23,24).
What are the key properties of 1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione?
1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 346.36 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 10132345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).