6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde

C9H10ClN3O2 — CID 88854178

IUPAC6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde
SMILESCCO/C=C\c1c(N)nc(Cl)nc1C=O
InChIInChI=1S/C9H10ClN3O2/c1-2-15-4-3-6-7(5-14)12-9(10)13-8(6)11/h3-5H,2H2,1H3,(H2,11,12,13)/b4-3-
InChIKeyKNSGQKCMWYDJSP-ARJAWSKDSA-N
MW227.65 g/mol
LogP1.53
Rot. Bonds4

About 6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde

6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde (PubChem CID 88854178) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde
PubChem CID88854178
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde
SMILESCCO/C=C\c1c(N)nc(Cl)nc1C=O
InChIInChI=1S/C9H10ClN3O2/c1-2-15-4-3-6-7(5-14)12-9(10)13-8(6)11/h3-5H,2H2,1H3,(H2,11,12,13)/b4-3-
InChIKeyKNSGQKCMWYDJSP-ARJAWSKDSA-N
XLogP1.53
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde?
The IUPAC name of 6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde (CID 88854178) is 6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde is CCO/C=C\c1c(N)nc(Cl)nc1C=O.
What is the InChIKey of 6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde?
The InChIKey is KNSGQKCMWYDJSP-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-2-15-4-3-6-7(5-14)12-9(10)13-8(6)11/h3-5H,2H2,1H3,(H2,11,12,13)/b4-3-.
What are the key properties of 6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde?
6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde has a molecular weight of 227.65 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-chloro-5-[(Z)-2-ethoxyethenyl]pyrimidine-4-carbaldehyde is sourced from PubChem (CID 88854178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).