4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde

C7H7ClN2O3 — CID 10976550

IUPAC4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde
SMILESCOc1nc(Cl)c(C=O)c(OC)n1
InChIInChI=1S/C7H7ClN2O3/c1-12-6-4(3-11)5(8)9-7(10-6)13-2/h3H,1-2H3
InChIKeyKSUIGOHQLMJUSE-UHFFFAOYSA-N
MW202.60 g/mol
LogP0.96
Rot. Bonds3

About 4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde

4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde (PubChem CID 10976550) has the molecular formula C7H7ClN2O3 and a molecular weight of 202.60 g/mol. Its IUPAC name is 4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde
PubChem CID10976550
Molecular FormulaC7H7ClN2O3
Molecular Weight202.60 g/mol
Exact Mass202.01
IUPAC Name4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde
SMILESCOc1nc(Cl)c(C=O)c(OC)n1
InChIInChI=1S/C7H7ClN2O3/c1-12-6-4(3-11)5(8)9-7(10-6)13-2/h3H,1-2H3
InChIKeyKSUIGOHQLMJUSE-UHFFFAOYSA-N
XLogP0.96
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde (CID 10976550) is 4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde is COc1nc(Cl)c(C=O)c(OC)n1.
What is the InChIKey of 4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde?
The InChIKey is KSUIGOHQLMJUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O3/c1-12-6-4(3-11)5(8)9-7(10-6)13-2/h3H,1-2H3.
What are the key properties of 4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde?
4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde has a molecular weight of 202.60 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde is sourced from PubChem (CID 10976550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).