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

C14H11Cl2N3O — CID 54581561

IUPAC4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1cc(-c2nc(C)nc3[nH]ccc23)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O/c1-7-18-13(8-3-4-17-14(8)19-7)9-5-12(20-2)11(16)6-10(9)15/h3-6H,1-2H3,(H,17,18,19)
InChIKeyUTOILPPAPPDCSN-UHFFFAOYSA-N
MW308.17 g/mol
LogP4.25
Rot. Bonds2

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

4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 54581561) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID54581561
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1cc(-c2nc(C)nc3[nH]ccc23)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O/c1-7-18-13(8-3-4-17-14(8)19-7)9-5-12(20-2)11(16)6-10(9)15/h3-6H,1-2H3,(H,17,18,19)
InChIKeyUTOILPPAPPDCSN-UHFFFAOYSA-N
XLogP4.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine (CID 54581561) is 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine is COc1cc(-c2nc(C)nc3[nH]ccc23)c(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is UTOILPPAPPDCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c1-7-18-13(8-3-4-17-14(8)19-7)9-5-12(20-2)11(16)6-10(9)15/h3-6H,1-2H3,(H,17,18,19).
What are the key properties of 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine?
4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 308.17 g/mol, XLogP of 4.25, 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-methyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 54581561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).