N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

C23H33FN6O3 — CID 46820487

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESCCCCN(C(=O)CN1CCN(c2ccc(F)cc2)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C23H33FN6O3/c1-3-5-11-29(20-21(25)30(10-4-2)23(33)26-22(20)32)19(31)16-27-12-14-28(15-13-27)18-8-6-17(24)7-9-18/h6-9H,3-5,10-16,25H2,1-2H3,(H,26,32,33)
InChIKeyVCESSKDOPYJPEM-UHFFFAOYSA-N
MW460.55 g/mol
LogP1.62
Rot. Bonds9

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 46820487) has the molecular formula C23H33FN6O3 and a molecular weight of 460.55 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID46820487
Molecular FormulaC23H33FN6O3
Molecular Weight460.55 g/mol
Exact Mass460.26
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESCCCCN(C(=O)CN1CCN(c2ccc(F)cc2)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C23H33FN6O3/c1-3-5-11-29(20-21(25)30(10-4-2)23(33)26-22(20)32)19(31)16-27-12-14-28(15-13-27)18-8-6-17(24)7-9-18/h6-9H,3-5,10-16,25H2,1-2H3,(H,26,32,33)
InChIKeyVCESSKDOPYJPEM-UHFFFAOYSA-N
XLogP1.62
TPSA107.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 55409523
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylacetamide
CID 2536558
N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 109002192
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-benzylpiperazin-1-yl)-N-ethylacetamide
CID 43012919
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 2089001
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide
CID 56542725
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-chlorobutanamide
CID 2113269
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide
CID 86953435
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-piperidin-1-ylacetamide
CID 8894420
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-(2-methoxyethyl)acetamide
CID 8583535
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25162791
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8615527

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 46820487) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is CCCCN(C(=O)CN1CCN(c2ccc(F)cc2)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is VCESSKDOPYJPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN6O3/c1-3-5-11-29(20-21(25)30(10-4-2)23(33)26-22(20)32)19(31)16-27-12-14-28(15-13-27)18-8-6-17(24)7-9-18/h6-9H,3-5,10-16,25H2,1-2H3,(H,26,32,33).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 460.55 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46820487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).