5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine

C8H7N3 — CID 139435827

IUPAC5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine
SMILESC=c1ncnc2c1=C(C)N=C2
InChIInChI=1S/C8H7N3/c1-5-8-6(2)10-4-11-7(8)3-9-5/h3-4H,2H2,1H3
InChIKeyQECTTZCWJFSQPU-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.55
Rot. Bonds

About 5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine

5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine (PubChem CID 139435827) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine
PubChem CID139435827
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine
SMILESC=c1ncnc2c1=C(C)N=C2
InChIInChI=1S/C8H7N3/c1-5-8-6(2)10-4-11-7(8)3-9-5/h3-4H,2H2,1H3
InChIKeyQECTTZCWJFSQPU-UHFFFAOYSA-N
XLogP-0.55
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4,8,11-Triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene
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Imidazo[4,5-g][1]benzazepine
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(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797
(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine
CID 90136221
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3-Methyl-4-methylidenepyrrolo[3,4-c]pyridine
CID 140956118

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine?
The IUPAC name of 5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine (CID 139435827) is 5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine is C=c1ncnc2c1=C(C)N=C2.
What is the InChIKey of 5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine?
The InChIKey is QECTTZCWJFSQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c1-5-8-6(2)10-4-11-7(8)3-9-5/h3-4H,2H2,1H3.
What are the key properties of 5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine?
5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine has a molecular weight of 145.16 g/mol, XLogP of -0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylidenepyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 139435827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).