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

C20H27FN4O4 — CID 4797014

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methylpropyl)acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)COc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H27FN4O4/c1-4-5-10-24-18(22)17(19(27)23-20(24)28)25(11-13(2)3)16(26)12-29-15-8-6-14(21)7-9-15/h6-9,13H,4-5,10-12,22H2,1-3H3,(H,23,27,28)
InChIKeyPAQDRPRYHZQICF-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.13
Rot. Bonds9

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 4797014) has the molecular formula C20H27FN4O4 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methylpropyl)acetamide
PubChem CID4797014
Molecular FormulaC20H27FN4O4
Molecular Weight406.46 g/mol
Exact Mass406.20
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methylpropyl)acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)COc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H27FN4O4/c1-4-5-10-24-18(22)17(19(27)23-20(24)28)25(11-13(2)3)16(26)12-29-15-8-6-14(21)7-9-15/h6-9,13H,4-5,10-12,22H2,1-3H3,(H,23,27,28)
InChIKeyPAQDRPRYHZQICF-UHFFFAOYSA-N
XLogP2.13
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methylpropyl)acetamide (CID 4797014) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methylpropyl)acetamide is CCCCn1c(N)c(N(CC(C)C)C(=O)COc2ccc(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-methylpropyl)acetamide?
The InChIKey is PAQDRPRYHZQICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O4/c1-4-5-10-24-18(22)17(19(27)23-20(24)28)25(11-13(2)3)16(26)12-29-15-8-6-14(21)7-9-15/h6-9,13H,4-5,10-12,22H2,1-3H3,(H,23,27,28).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methylpropyl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 406.46 g/mol, XLogP of 2.13, 9 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-methylpropyl)acetamide is sourced from PubChem (CID 4797014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).