4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine

C13H12N4O — CID 135283832

IUPAC4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1nc(C)nc2[nH]cc(-c3ccncc3)c12
InChIInChI=1S/C13H12N4O/c1-8-16-12-11(13(17-8)18-2)10(7-15-12)9-3-5-14-6-4-9/h3-7H,1-2H3,(H,15,16,17)
InChIKeyMSJVVYBVCYREFU-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.34
Rot. Bonds2

About 4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine

4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 135283832) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID135283832
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1nc(C)nc2[nH]cc(-c3ccncc3)c12
InChIInChI=1S/C13H12N4O/c1-8-16-12-11(13(17-8)18-2)10(7-15-12)9-3-5-14-6-4-9/h3-7H,1-2H3,(H,15,16,17)
InChIKeyMSJVVYBVCYREFU-UHFFFAOYSA-N
XLogP2.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine (CID 135283832) is 4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine is COc1nc(C)nc2[nH]cc(-c3ccncc3)c12.
What is the InChIKey of 4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is MSJVVYBVCYREFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-16-12-11(13(17-8)18-2)10(7-15-12)9-3-5-14-6-4-9/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine?
4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 240.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 135283832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).