5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

C16H18FN5O3 — CID 166367952

IUPAC5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESNc1c(C(=O)N2CCNC(Cc3ccc(F)cc3)C2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H18FN5O3/c17-10-3-1-9(2-4-10)7-11-8-22(6-5-19-11)15(24)13-12(18)14(23)21-16(25)20-13/h1-4,11,19H,5-8,18H2,(H2,20,21,23,25)
InChIKeyMHGLWLYANANAIX-UHFFFAOYSA-N
MW347.35 g/mol
LogP-0.56
Rot. Bonds3

About 5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 166367952) has the molecular formula C16H18FN5O3 and a molecular weight of 347.35 g/mol. Its IUPAC name is 5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID166367952
Molecular FormulaC16H18FN5O3
Molecular Weight347.35 g/mol
Exact Mass347.14
IUPAC Name5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESNc1c(C(=O)N2CCNC(Cc3ccc(F)cc3)C2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H18FN5O3/c17-10-3-1-9(2-4-10)7-11-8-22(6-5-19-11)15(24)13-12(18)14(23)21-16(25)20-13/h1-4,11,19H,5-8,18H2,(H2,20,21,23,25)
InChIKeyMHGLWLYANANAIX-UHFFFAOYSA-N
XLogP-0.56
TPSA124.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
CID 132971327
[3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone
CID 167844040
(3R)-3-[(4-sulfamoylphenyl)methyl]piperazine-1-carboxylic acid
CID 68664807
benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride
CID 75088473
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 75366058
2-methylpropyl 3-benzylpiperazine-1-carboxylate
CID 82248433
1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
CID 18703475
1-(3-benzylpiperazin-1-yl)butan-1-one
CID 82244330
1-(3-benzylpiperazin-1-yl)butane-1,3-dione
CID 110477448
1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82246230
1-[[3-[(3S)-3-ethylpiperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 130293181

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 166367952) is 5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is Nc1c(C(=O)N2CCNC(Cc3ccc(F)cc3)C2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is MHGLWLYANANAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3/c17-10-3-1-9(2-4-10)7-11-8-22(6-5-19-11)15(24)13-12(18)14(23)21-16(25)20-13/h1-4,11,19H,5-8,18H2,(H2,20,21,23,25).
What are the key properties of 5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 347.35 g/mol, XLogP of -0.56, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 166367952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).