N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C13H19N3O5 — CID 103954246

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NC2(CO)CCOCC2)c1=O
InChIInChI=1S/C13H19N3O5/c1-15-11(19)2-5-16(12(15)20)8-10(18)14-13(9-17)3-6-21-7-4-13/h2,5,17H,3-4,6-9H2,1H3,(H,14,18)
InChIKeyWZRUJMQCMAJRAR-UHFFFAOYSA-N
MW297.31 g/mol
LogP-1.80
Rot. Bonds4

About N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 103954246) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID103954246
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NC2(CO)CCOCC2)c1=O
InChIInChI=1S/C13H19N3O5/c1-15-11(19)2-5-16(12(15)20)8-10(18)14-13(9-17)3-6-21-7-4-13/h2,5,17H,3-4,6-9H2,1H3,(H,14,18)
InChIKeyWZRUJMQCMAJRAR-UHFFFAOYSA-N
XLogP-1.80
TPSA102.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 103954246) is N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cn1c(=O)ccn(CC(=O)NC2(CO)CCOCC2)c1=O.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is WZRUJMQCMAJRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-15-11(19)2-5-16(12(15)20)8-10(18)14-13(9-17)3-6-21-7-4-13/h2,5,17H,3-4,6-9H2,1H3,(H,14,18).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 297.31 g/mol, XLogP of -1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 103954246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).