4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde

C11H15ClN2O5 — CID 82070696

IUPAC4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde
SMILESCOCCn1c(Cl)c(C=O)c(=O)n(CCOC)c1=O
InChIInChI=1S/C11H15ClN2O5/c1-18-5-3-13-9(12)8(7-15)10(16)14(11(13)17)4-6-19-2/h7H,3-6H2,1-2H3
InChIKeyDZXHSQMSLACCQH-UHFFFAOYSA-N
MW290.70 g/mol
LogP-0.23
Rot. Bonds7

About 4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde

4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde (PubChem CID 82070696) has the molecular formula C11H15ClN2O5 and a molecular weight of 290.70 g/mol. Its IUPAC name is 4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde
PubChem CID82070696
Molecular FormulaC11H15ClN2O5
Molecular Weight290.70 g/mol
Exact Mass290.07
IUPAC Name4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde
SMILESCOCCn1c(Cl)c(C=O)c(=O)n(CCOC)c1=O
InChIInChI=1S/C11H15ClN2O5/c1-18-5-3-13-9(12)8(7-15)10(16)14(11(13)17)4-6-19-2/h7H,3-6H2,1-2H3
InChIKeyDZXHSQMSLACCQH-UHFFFAOYSA-N
XLogP-0.23
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-((2-Methoxyethyl)amino)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
CID 28468159
6-Chloro-5-formyl-1,3-dimethyluracil
CID 319971
1,3-Dimethyl-6-(morpholin-4-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
CID 15314951
6-Chloro-1,3-diethyl-5-formyluracil
CID 12677979
4-Chloro-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidine-5-carbaldehyde
CID 82070697
1,3-Dibutyl-4-chloro-2,6-dioxopyrimidine-5-carbaldehyde
CID 11000672
3-butyl-6-chloro-2,4-dioxo-1H-pyrimidine-5-carbaldehyde
CID 12677983
1,3-Dimethyl-2,4-dioxo-6-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)pyrimidine-5-carbaldehyde
CID 101183334
4-(Diethylamino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde
CID 101727095
6-chloro-3-(2-ethoxyethyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 104370096
6-chloro-3-(2-methoxyethyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 104370485
6-chloro-3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 104371742

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde (CID 82070696) is 4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde is COCCn1c(Cl)c(C=O)c(=O)n(CCOC)c1=O.
What is the InChIKey of 4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde?
The InChIKey is DZXHSQMSLACCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O5/c1-18-5-3-13-9(12)8(7-15)10(16)14(11(13)17)4-6-19-2/h7H,3-6H2,1-2H3.
What are the key properties of 4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde?
4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde has a molecular weight of 290.70 g/mol, XLogP of -0.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde is sourced from PubChem (CID 82070696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).