7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine

C18H21N3O — CID 21363957

IUPAC7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine
SMILESCOC1(C)N=C(c2ccc(C)cc2C)c2nc(C)nc(C)c21
InChIInChI=1S/C18H21N3O/c1-10-7-8-14(11(2)9-10)16-17-15(18(5,21-16)22-6)12(3)19-13(4)20-17/h7-9H,1-6H3
InChIKeyKKBBOSBYGFDUBE-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.38
Rot. Bonds2

About 7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine

7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine (PubChem CID 21363957) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine
PubChem CID21363957
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine
SMILESCOC1(C)N=C(c2ccc(C)cc2C)c2nc(C)nc(C)c21
InChIInChI=1S/C18H21N3O/c1-10-7-8-14(11(2)9-10)16-17-15(18(5,21-16)22-6)12(3)19-13(4)20-17/h7-9H,1-6H3
InChIKeyKKBBOSBYGFDUBE-UHFFFAOYSA-N
XLogP3.38
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine?
The IUPAC name of 7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine (CID 21363957) is 7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine is COC1(C)N=C(c2ccc(C)cc2C)c2nc(C)nc(C)c21.
What is the InChIKey of 7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine?
The InChIKey is KKBBOSBYGFDUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-10-7-8-14(11(2)9-10)16-17-15(18(5,21-16)22-6)12(3)19-13(4)20-17/h7-9H,1-6H3.
What are the key properties of 7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine?
7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine has a molecular weight of 295.39 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethylphenyl)-5-methoxy-2,4,5-trimethylpyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 21363957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).