5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine

C38H46N10 — CID 167599156

IUPAC5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1c(C)n(C)c2c(C)cncc12.Cc1c(C)n(C)c2ncncc12.Cc1cn(C)c2c(C)cncc12.Cc1cn(C)c2ncncc12
InChIInChI=1S/C11H14N2.C10H12N2.C9H11N3.C8H9N3/c1-7-5-12-6-10-8(2)9(3)13(4)11(7)10;1-7-4-11-5-9-8(2)6-12(3)10(7)9;1-6-7(2)12(3)9-8(6)4-10-5-11-9;1-6-4-11(2)8-7(6)3-9-5-10-8/h5-6H,1-4H3;4-6H,1-3H3;4-5H,1-3H3;3-5H,1-2H3
InChIKeyJMKGMJYODJUFBQ-UHFFFAOYSA-N
MW642.86 g/mol
LogP7.55
Rot. Bonds

About 5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine

5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine (PubChem CID 167599156) has the molecular formula C38H46N10 and a molecular weight of 642.86 g/mol. Its IUPAC name is 5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine
PubChem CID167599156
Molecular FormulaC38H46N10
Molecular Weight642.86 g/mol
Exact Mass642.39
IUPAC Name5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1c(C)n(C)c2c(C)cncc12.Cc1c(C)n(C)c2ncncc12.Cc1cn(C)c2c(C)cncc12.Cc1cn(C)c2ncncc12
InChIInChI=1S/C11H14N2.C10H12N2.C9H11N3.C8H9N3/c1-7-5-12-6-10-8(2)9(3)13(4)11(7)10;1-7-4-11-5-9-8(2)6-12(3)10(7)9;1-6-7(2)12(3)9-8(6)4-10-5-11-9;1-6-4-11(2)8-7(6)3-9-5-10-8/h5-6H,1-4H3;4-6H,1-3H3;4-5H,1-3H3;3-5H,1-2H3
InChIKeyJMKGMJYODJUFBQ-UHFFFAOYSA-N
XLogP7.55
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.86
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine (CID 167599156) is 5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine is Cc1c(C)n(C)c2c(C)cncc12.Cc1c(C)n(C)c2ncncc12.Cc1cn(C)c2c(C)cncc12.Cc1cn(C)c2ncncc12.
What is the InChIKey of 5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine?
The InChIKey is JMKGMJYODJUFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C10H12N2.C9H11N3.C8H9N3/c1-7-5-12-6-10-8(2)9(3)13(4)11(7)10;1-7-4-11-5-9-8(2)6-12(3)10(7)9;1-6-7(2)12(3)9-8(6)4-10-5-11-9;1-6-4-11(2)8-7(6)3-9-5-10-8/h5-6H,1-4H3;4-6H,1-3H3;4-5H,1-3H3;3-5H,1-2H3.
What are the key properties of 5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine?
5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine has a molecular weight of 642.86 g/mol, XLogP of 7.55, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylpyrrolo[2,3-d]pyrimidine;1,2,3,7-tetramethylpyrrolo[3,2-c]pyridine;1,3,7-trimethylpyrrolo[3,2-c]pyridine;5,6,7-trimethylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 167599156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).