4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde

C10H10ClN3O — CID 87801663

IUPAC4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
SMILESCC(C)n1cc(C=O)c2c(Cl)ncnc21
InChIInChI=1S/C10H10ClN3O/c1-6(2)14-3-7(4-15)8-9(11)12-5-13-10(8)14/h3-6H,1-2H3
InChIKeySVIHVYATTOOYPP-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.48
Rot. Bonds2

About 4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde

4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde (PubChem CID 87801663) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
PubChem CID87801663
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
SMILESCC(C)n1cc(C=O)c2c(Cl)ncnc21
InChIInChI=1S/C10H10ClN3O/c1-6(2)14-3-7(4-15)8-9(11)12-5-13-10(8)14/h3-6H,1-2H3
InChIKeySVIHVYATTOOYPP-UHFFFAOYSA-N
XLogP2.48
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde (CID 87801663) is 4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde is CC(C)n1cc(C=O)c2c(Cl)ncnc21.
What is the InChIKey of 4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The InChIKey is SVIHVYATTOOYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6(2)14-3-7(4-15)8-9(11)12-5-13-10(8)14/h3-6H,1-2H3.
What are the key properties of 4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde has a molecular weight of 223.66 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 87801663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).