6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde

C11H10ClN5O3 — CID 88934595

IUPAC6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde
SMILESCOc1ncc(-c2nc(N)c(Cl)c(C=O)n2)c(OC)n1
InChIInChI=1S/C11H10ClN5O3/c1-19-10-5(3-14-11(17-10)20-2)9-15-6(4-18)7(12)8(13)16-9/h3-4H,1-2H3,(H2,13,15,16)
InChIKeyWJDPZNUYWPYAQM-UHFFFAOYSA-N
MW295.69 g/mol
LogP1.00
Rot. Bonds4

About 6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde

6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde (PubChem CID 88934595) has the molecular formula C11H10ClN5O3 and a molecular weight of 295.69 g/mol. Its IUPAC name is 6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde
PubChem CID88934595
Molecular FormulaC11H10ClN5O3
Molecular Weight295.69 g/mol
Exact Mass295.05
IUPAC Name6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde
SMILESCOc1ncc(-c2nc(N)c(Cl)c(C=O)n2)c(OC)n1
InChIInChI=1S/C11H10ClN5O3/c1-19-10-5(3-14-11(17-10)20-2)9-15-6(4-18)7(12)8(13)16-9/h3-4H,1-2H3,(H2,13,15,16)
InChIKeyWJDPZNUYWPYAQM-UHFFFAOYSA-N
XLogP1.00
TPSA113.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde (CID 88934595) is 6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde is COc1ncc(-c2nc(N)c(Cl)c(C=O)n2)c(OC)n1.
What is the InChIKey of 6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde?
The InChIKey is WJDPZNUYWPYAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O3/c1-19-10-5(3-14-11(17-10)20-2)9-15-6(4-18)7(12)8(13)16-9/h3-4H,1-2H3,(H2,13,15,16).
What are the key properties of 6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde?
6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde has a molecular weight of 295.69 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-2-(2,4-dimethoxypyrimidin-5-yl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 88934595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).