2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine

C16H17ClN4O2 — CID 175961142

IUPAC2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine
SMILESCCOC(OCC)c1cc2cnc(Cl)nc2n1-c1ccccn1
InChIInChI=1S/C16H17ClN4O2/c1-3-22-15(23-4-2)12-9-11-10-19-16(17)20-14(11)21(12)13-7-5-6-8-18-13/h5-10,15H,3-4H2,1-2H3
InChIKeyGCTDSOZBYVZMGH-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.54
Rot. Bonds6

About 2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine

2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine (PubChem CID 175961142) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine
PubChem CID175961142
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine
SMILESCCOC(OCC)c1cc2cnc(Cl)nc2n1-c1ccccn1
InChIInChI=1S/C16H17ClN4O2/c1-3-22-15(23-4-2)12-9-11-10-19-16(17)20-14(11)21(12)13-7-5-6-8-18-13/h5-10,15H,3-4H2,1-2H3
InChIKeyGCTDSOZBYVZMGH-UHFFFAOYSA-N
XLogP3.54
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[2-[2-chloro-6-(diethoxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylbutyl]carbamic acid
CID 146563032
7-[2-chloro-6-(diethoxymethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,2,8-trimethylnonan-4-one
CID 161203326
2-chloro-5-methyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine
CID 86637341
tert-butyl N-[2-[2-chloro-6-[ethoxy(methoxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]carbamate
CID 121290216
2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 170327217
2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol
CID 155147006
2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine
CID 155146957
2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine
CID 156592018
2-chloro-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine
CID 58015932
5-ethoxy-3-pyridin-2-yl-1H-benzimidazol-2-one
CID 54505929
1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one
CID 22922573
4-chloro-13-phenyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 123527555

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine (CID 175961142) is 2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine is CCOC(OCC)c1cc2cnc(Cl)nc2n1-c1ccccn1.
What is the InChIKey of 2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine?
The InChIKey is GCTDSOZBYVZMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-3-22-15(23-4-2)12-9-11-10-19-16(17)20-14(11)21(12)13-7-5-6-8-18-13/h5-10,15H,3-4H2,1-2H3.
What are the key properties of 2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine?
2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine has a molecular weight of 332.79 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 175961142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).