N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide

C19H25FN4O4 — CID 86977286

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
SMILESCCCCn1c(N)c(N(C)C(=O)C(C)(C)Oc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25FN4O4/c1-5-6-11-24-15(21)14(16(25)22-18(24)27)23(4)17(26)19(2,3)28-13-9-7-12(20)8-10-13/h7-10H,5-6,11,21H2,1-4H3,(H,22,25,27)
InChIKeyQAIUNSVSEBIBKC-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.88
Rot. Bonds7

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide (PubChem CID 86977286) has the molecular formula C19H25FN4O4 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
PubChem CID86977286
Molecular FormulaC19H25FN4O4
Molecular Weight392.43 g/mol
Exact Mass392.19
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
SMILESCCCCn1c(N)c(N(C)C(=O)C(C)(C)Oc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25FN4O4/c1-5-6-11-24-15(21)14(16(25)22-18(24)27)23(4)17(26)19(2,3)28-13-9-7-12(20)8-10-13/h7-10H,5-6,11,21H2,1-4H3,(H,22,25,27)
InChIKeyQAIUNSVSEBIBKC-UHFFFAOYSA-N
XLogP1.88
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-bromo-5-fluoro-N-methylbenzamide
CID 46611762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-propoxybenzamide
CID 26196356
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24507607
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-(4-fluorophenoxy)propanamide
CID 30841957
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-fluoro-N-methylanilino)acetamide
CID 55839982
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide
CID 55504618
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenyl)-N-methylacetamide
CID 8918069
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 8917928
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 8918135
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(tert-butylcarbamoyl)acetamide
CID 55474865
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(4-fluorophenyl)prop-2-enamide
CID 26185744
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 55590840

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide (CID 86977286) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide is CCCCn1c(N)c(N(C)C(=O)C(C)(C)Oc2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide?
The InChIKey is QAIUNSVSEBIBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O4/c1-5-6-11-24-15(21)14(16(25)22-18(24)27)23(4)17(26)19(2,3)28-13-9-7-12(20)8-10-13/h7-10H,5-6,11,21H2,1-4H3,(H,22,25,27).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide has a molecular weight of 392.43 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide is sourced from PubChem (CID 86977286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).