1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide

C14H22N4O6 — CID 135211585

IUPAC1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cn(COCCO)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O6/c19-5-8-24-10-18-9-11(13(21)16-14(18)22)12(20)15-1-2-17-3-6-23-7-4-17/h9,19H,1-8,10H2,(H,15,20)(H,16,21,22)
InChIKeyWFFRCCRROBRKHD-UHFFFAOYSA-N
MW342.35 g/mol
LogP-2.43
Rot. Bonds8

About 1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide

1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 135211585) has the molecular formula C14H22N4O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID135211585
Molecular FormulaC14H22N4O6
Molecular Weight342.35 g/mol
Exact Mass342.15
IUPAC Name1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cn(COCCO)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O6/c19-5-8-24-10-18-9-11(13(21)16-14(18)22)12(20)15-1-2-17-3-6-23-7-4-17/h9,19H,1-8,10H2,(H,15,20)(H,16,21,22)
InChIKeyWFFRCCRROBRKHD-UHFFFAOYSA-N
XLogP-2.43
TPSA125.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 5-2.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide (CID 135211585) is 1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide is O=C(NCCN1CCOCC1)c1cn(COCCO)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is WFFRCCRROBRKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O6/c19-5-8-24-10-18-9-11(13(21)16-14(18)22)12(20)15-1-2-17-3-6-23-7-4-17/h9,19H,1-8,10H2,(H,15,20)(H,16,21,22).
What are the key properties of 1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide?
1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 342.35 g/mol, XLogP of -2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 135211585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).