4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one

C18H20FN5O2 — CID 56743160

IUPAC4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCCNc1ncc(C(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)cn1
InChIInChI=1S/C18H20FN5O2/c1-2-20-18-21-9-14(10-22-18)17(26)24-8-7-23(16(25)12-24)11-13-3-5-15(19)6-4-13/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,20,21,22)
InChIKeyPLHHQAUQNGHFBR-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.53
Rot. Bonds5

About 4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one

4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one (PubChem CID 56743160) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
PubChem CID56743160
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCCNc1ncc(C(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)cn1
InChIInChI=1S/C18H20FN5O2/c1-2-20-18-21-9-14(10-22-18)17(26)24-8-7-23(16(25)12-24)11-13-3-5-15(19)6-4-13/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,20,21,22)
InChIKeyPLHHQAUQNGHFBR-UHFFFAOYSA-N
XLogP1.53
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-[(4-fluorophenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254612
4-(5-fluoropyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 91837307
1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one
CID 90649312
1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
CID 70767558
4-(3-chloro-4-ethylbenzoyl)-1-[(2,4-difluorophenyl)methyl]piperazin-2-one
CID 154848686
N-ethyl-5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrimidin-2-amine
CID 56901818
4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 166827609
2-[5-[4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 20763769
4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
CID 47000283
4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 86286910
4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 154838277
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254031

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one (CID 56743160) is 4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one is CCNc1ncc(C(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)cn1.
What is the InChIKey of 4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is PLHHQAUQNGHFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-2-20-18-21-9-14(10-22-18)17(26)24-8-7-23(16(25)12-24)11-13-3-5-15(19)6-4-13/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,20,21,22).
What are the key properties of 4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 357.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 56743160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).