2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]

C9H11N3O — CID 172908778

IUPAC2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESCc1ncc2c(n1)COC21CNC1
InChIInChI=1S/C9H11N3O/c1-6-11-2-7-8(12-6)3-13-9(7)4-10-5-9/h2,10H,3-5H2,1H3
InChIKeyNSOSZSPEQUBSOQ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.11
Rot. Bonds

About 2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]

2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (PubChem CID 172908778) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].

Molecular Properties

Compound Name2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
PubChem CID172908778
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESCc1ncc2c(n1)COC21CNC1
InChIInChI=1S/C9H11N3O/c1-6-11-2-7-8(12-6)3-13-9(7)4-10-5-9/h2,10H,3-5H2,1H3
InChIKeyNSOSZSPEQUBSOQ-UHFFFAOYSA-N
XLogP0.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The IUPAC name of 2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (CID 172908778) is 2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].
What is the SMILES notation for 2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The canonical SMILES for 2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is Cc1ncc2c(n1)COC21CNC1.
What is the InChIKey of 2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The InChIKey is NSOSZSPEQUBSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-11-2-7-8(12-6)3-13-9(7)4-10-5-9/h2,10H,3-5H2,1H3.
What are the key properties of 2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] has a molecular weight of 177.21 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is sourced from PubChem (CID 172908778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).