4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

C15H13Cl2N3O — CID 54580562

IUPAC4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1cc(-c2nc(C)nc3[nH]c(C)cc23)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-7-4-10-14(19-8(2)20-15(10)18-7)9-5-13(21-3)12(17)6-11(9)16/h4-6H,1-3H3,(H,18,19,20)
InChIKeyKKSXYVCGRGBHJZ-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.56
Rot. Bonds2

About 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 54580562) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID54580562
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1cc(-c2nc(C)nc3[nH]c(C)cc23)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O/c1-7-4-10-14(19-8(2)20-15(10)18-7)9-5-13(21-3)12(17)6-11(9)16/h4-6H,1-3H3,(H,18,19,20)
InChIKeyKKSXYVCGRGBHJZ-UHFFFAOYSA-N
XLogP4.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[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

4-(2,4-Dichloro-5-Methoxyphenyl)-6-Methylpyrimidin-2-Amine
CID 52940058
4-(2,4-Dichloro-5-Methoxyphenyl)-2-Methyl-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 52940059
4-(2,4-Dichloro-5-Methoxyphenyl)-2,6-Dimethyl-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 52940060
4-(2,4-Dichloro-5-methoxy-phenyl)-2-(2-diethylamino-ethoxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 24875750
4-Chloro-6-(2,4-dichloro-5-methoxyphenyl)-2-pyrimidinamine
CID 46914445
5-chloro-2-[[5-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
CID 137368582
4-(2,4-dichloro-5-methoxyphenyl)-6-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 44160267
4-(2,4-dichloro-5-methoxyphenyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 54584505
5-chloro-4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 54584506
5-chloro-4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 54587439
4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 54581561
6-(2,4-Dichloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 54582558

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine (CID 54580562) is 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine is COc1cc(-c2nc(C)nc3[nH]c(C)cc23)c(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is KKSXYVCGRGBHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-7-4-10-14(19-8(2)20-15(10)18-7)9-5-13(21-3)12(17)6-11(9)16/h4-6H,1-3H3,(H,18,19,20).
What are the key properties of 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine?
4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 322.20 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 54580562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).