2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

C14H20Cl2N4O2S — CID 143538846

IUPAC2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCS(C)(C)CCCOCn1cc(C(N)=O)c2c(Cl)nc(Cl)nc21
InChIInChI=1S/C14H20Cl2N4O2S/c1-23(2,3)6-4-5-22-8-20-7-9(12(17)21)10-11(15)18-14(16)19-13(10)20/h7H,4-6,8H2,1-3H3,(H2,17,21)
InChIKeyUBXYDVINVHLWDR-UHFFFAOYSA-N
MW379.31 g/mol
LogP2.90
Rot. Bonds7

About 2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 143538846) has the molecular formula C14H20Cl2N4O2S and a molecular weight of 379.31 g/mol. Its IUPAC name is 2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID143538846
Molecular FormulaC14H20Cl2N4O2S
Molecular Weight379.31 g/mol
Exact Mass378.07
IUPAC Name2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCS(C)(C)CCCOCn1cc(C(N)=O)c2c(Cl)nc(Cl)nc21
InChIInChI=1S/C14H20Cl2N4O2S/c1-23(2,3)6-4-5-22-8-20-7-9(12(17)21)10-11(15)18-14(16)19-13(10)20/h7H,4-6,8H2,1-3H3,(H2,17,21)
InChIKeyUBXYDVINVHLWDR-UHFFFAOYSA-N
XLogP2.90
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide 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

2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86679621
CID 155775562
CID 155775562
2-chloro-5-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 133061792
2-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 167542684
[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanone
CID 153450189
3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 166600427
4-[2-chloro-4-cyclobutyloxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylbenzamide
CID 86726454
2-[(4-chloro-5-iodo-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86706959
tert-butyl (2S,4R)-4-[[5-bromo-2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpyrrolidine-1-carboxylate
CID 175796446
2-[(2-chloro-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethyl-λ4-sulfane
CID 130333156
methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 87576664
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 71258387

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 143538846) is 2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide is CS(C)(C)CCCOCn1cc(C(N)=O)c2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is UBXYDVINVHLWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N4O2S/c1-23(2,3)6-4-5-22-8-20-7-9(12(17)21)10-11(15)18-14(16)19-13(10)20/h7H,4-6,8H2,1-3H3,(H2,17,21).
What are the key properties of 2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 379.31 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-[3-(trimethyl-λ4-sulfanyl)propoxymethyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 143538846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).