N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide

C19H25FN4O5 — CID 24983151

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)C(C)Oc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25FN4O5/c1-4-9-24-16(21)15(17(25)22-19(24)27)23(10-11-28-3)18(26)12(2)29-14-7-5-13(20)6-8-14/h5-8,12H,4,9-11,21H2,1-3H3,(H,22,25,27)
InChIKeyACRNHNSTPSATGD-UHFFFAOYSA-N
MW408.43 g/mol
LogP1.11
Rot. Bonds9

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide (PubChem CID 24983151) has the molecular formula C19H25FN4O5 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
PubChem CID24983151
Molecular FormulaC19H25FN4O5
Molecular Weight408.43 g/mol
Exact Mass408.18
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)C(C)Oc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25FN4O5/c1-4-9-24-16(21)15(17(25)22-19(24)27)23(10-11-28-3)18(26)12(2)29-14-7-5-13(20)6-8-14/h5-8,12H,4,9-11,21H2,1-3H3,(H,22,25,27)
InChIKeyACRNHNSTPSATGD-UHFFFAOYSA-N
XLogP1.11
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide (CID 24983151) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide is CCCn1c(N)c(N(CCOC)C(=O)C(C)Oc2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide?
The InChIKey is ACRNHNSTPSATGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O5/c1-4-9-24-16(21)15(17(25)22-19(24)27)23(10-11-28-3)18(26)12(2)29-14-7-5-13(20)6-8-14/h5-8,12H,4,9-11,21H2,1-3H3,(H,22,25,27).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide has a molecular weight of 408.43 g/mol, XLogP of 1.11, 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)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 24983151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).