2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine

C10H11N3O — CID 11651289

IUPAC2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1nc(C2CC2)nc2cc[nH]c12
InChIInChI=1S/C10H11N3O/c1-14-10-8-7(4-5-11-8)12-9(13-10)6-2-3-6/h4-6,11H,2-3H2,1H3
InChIKeyWAOCMFPJPAVIKH-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.84
Rot. Bonds2

About 2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine

2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 11651289) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID11651289
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1nc(C2CC2)nc2cc[nH]c12
InChIInChI=1S/C10H11N3O/c1-14-10-8-7(4-5-11-8)12-9(13-10)6-2-3-6/h4-6,11H,2-3H2,1H3
InChIKeyWAOCMFPJPAVIKH-UHFFFAOYSA-N
XLogP1.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine (CID 11651289) is 2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine is COc1nc(C2CC2)nc2cc[nH]c12.
What is the InChIKey of 2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is WAOCMFPJPAVIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-14-10-8-7(4-5-11-8)12-9(13-10)6-2-3-6/h4-6,11H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 189.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 11651289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).