5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine

C11H13N3 — CID 153487640

IUPAC5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine
SMILESCc1nc(C)c2c(ccn2C2CC2)n1
InChIInChI=1S/C11H13N3/c1-7-11-10(13-8(2)12-7)5-6-14(11)9-3-4-9/h5-6,9H,3-4H2,1-2H3
InChIKeyRRFMMAMPVRBOQR-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.38
Rot. Bonds1

About 5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine

5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine (PubChem CID 153487640) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine
PubChem CID153487640
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine
SMILESCc1nc(C)c2c(ccn2C2CC2)n1
InChIInChI=1S/C11H13N3/c1-7-11-10(13-8(2)12-7)5-6-14(11)9-3-4-9/h5-6,9H,3-4H2,1-2H3
InChIKeyRRFMMAMPVRBOQR-UHFFFAOYSA-N
XLogP2.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine?
The IUPAC name of 5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine (CID 153487640) is 5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine is Cc1nc(C)c2c(ccn2C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine?
The InChIKey is RRFMMAMPVRBOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-11-10(13-8(2)12-7)5-6-14(11)9-3-4-9/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine?
5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine has a molecular weight of 187.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,4-dimethylpyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 153487640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).