N-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C18H20FN3O5 — CID 70715676

IUPACN-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCN(CC1COCCO1)C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C18H20FN3O5/c1-22(9-14-10-25-6-7-26-14)18(24)15-8-20-16(21-17(15)23)11-27-13-4-2-12(19)3-5-13/h2-5,8,14H,6-7,9-11H2,1H3,(H,20,21,23)
InChIKeySLHGMORXRNPLFD-UHFFFAOYSA-N
MW377.37 g/mol
LogP0.98
Rot. Bonds6

About N-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70715676) has the molecular formula C18H20FN3O5 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70715676
Molecular FormulaC18H20FN3O5
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCN(CC1COCCO1)C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C18H20FN3O5/c1-22(9-14-10-25-6-7-26-14)18(24)15-8-20-16(21-17(15)23)11-27-13-4-2-12(19)3-5-13/h2-5,8,14H,6-7,9-11H2,1H3,(H,20,21,23)
InChIKeySLHGMORXRNPLFD-UHFFFAOYSA-N
XLogP0.98
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 70715676) is N-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CN(CC1COCCO1)C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is SLHGMORXRNPLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O5/c1-22(9-14-10-25-6-7-26-14)18(24)15-8-20-16(21-17(15)23)11-27-13-4-2-12(19)3-5-13/h2-5,8,14H,6-7,9-11H2,1H3,(H,20,21,23).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70715676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).