2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine

C8H11N3 — CID 45080430

IUPAC2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCc1ncc2c(n1)N(C)CC2
InChIInChI=1S/C8H11N3/c1-6-9-5-7-3-4-11(2)8(7)10-6/h5H,3-4H2,1-2H3
InChIKeyVUVQIXHSVAVQFN-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.78
Rot. Bonds

About 2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine

2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine (PubChem CID 45080430) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
PubChem CID45080430
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCc1ncc2c(n1)N(C)CC2
InChIInChI=1S/C8H11N3/c1-6-9-5-7-3-4-11(2)8(7)10-6/h5H,3-4H2,1-2H3
InChIKeyVUVQIXHSVAVQFN-UHFFFAOYSA-N
XLogP0.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine (CID 45080430) is 2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine is Cc1ncc2c(n1)N(C)CC2.
What is the InChIKey of 2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The InChIKey is VUVQIXHSVAVQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-9-5-7-3-4-11(2)8(7)10-6/h5H,3-4H2,1-2H3.
What are the key properties of 2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine has a molecular weight of 149.20 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 45080430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).