(5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone

C13H18N4O2 — CID 131683910

IUPAC(5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
SMILESCOc1cnc(C(=O)N2CC3(CCN(C)C3)C2)nc1
InChIInChI=1S/C13H18N4O2/c1-16-4-3-13(7-16)8-17(9-13)12(18)11-14-5-10(19-2)6-15-11/h5-6H,3-4,7-9H2,1-2H3
InChIKeyPKFOFQAUDXQMRZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.26
Rot. Bonds2

About (5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone

(5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone (PubChem CID 131683910) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

Compound Name(5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
PubChem CID131683910
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone
SMILESCOc1cnc(C(=O)N2CC3(CCN(C)C3)C2)nc1
InChIInChI=1S/C13H18N4O2/c1-16-4-3-13(7-16)8-17(9-13)12(18)11-14-5-10(19-2)6-15-11/h5-6H,3-4,7-9H2,1-2H3
InChIKeyPKFOFQAUDXQMRZ-UHFFFAOYSA-N
XLogP0.26
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The IUPAC name of (5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone (CID 131683910) is (5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone.
What is the SMILES notation for (5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The canonical SMILES for (5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone is COc1cnc(C(=O)N2CC3(CCN(C)C3)C2)nc1.
What is the InChIKey of (5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The InChIKey is PKFOFQAUDXQMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16-4-3-13(7-16)8-17(9-13)12(18)11-14-5-10(19-2)6-15-11/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of (5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
(5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxypyrimidin-2-yl)-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 131683910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).