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

C16H24N4O2 — CID 131683860

IUPAC(5-methoxypyrimidin-2-yl)-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
SMILESCOc1cnc(C(=O)N2CC3(CCN(CC(C)C)C3)C2)nc1
InChIInChI=1S/C16H24N4O2/c1-12(2)8-19-5-4-16(9-19)10-20(11-16)15(21)14-17-6-13(22-3)7-18-14/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyMBUOBPQRLIMIRK-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.29
Rot. Bonds4

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

(5-methoxypyrimidin-2-yl)-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone (PubChem CID 131683860) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (5-methoxypyrimidin-2-yl)-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(5-methoxypyrimidin-2-yl)-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
PubChem CID131683860
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(5-methoxypyrimidin-2-yl)-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
SMILESCOc1cnc(C(=O)N2CC3(CCN(CC(C)C)C3)C2)nc1
InChIInChI=1S/C16H24N4O2/c1-12(2)8-19-5-4-16(9-19)10-20(11-16)15(21)14-17-6-13(22-3)7-18-14/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyMBUOBPQRLIMIRK-UHFFFAOYSA-N
XLogP1.29
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methoxypyrimidin-2-yl)-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (5-methoxypyrimidin-2-yl)-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone (CID 131683860) is (5-methoxypyrimidin-2-yl)-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (5-methoxypyrimidin-2-yl)-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (5-methoxypyrimidin-2-yl)-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone is COc1cnc(C(=O)N2CC3(CCN(CC(C)C)C3)C2)nc1.
What is the InChIKey of (5-methoxypyrimidin-2-yl)-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
The InChIKey is MBUOBPQRLIMIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(2)8-19-5-4-16(9-19)10-20(11-16)15(21)14-17-6-13(22-3)7-18-14/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of (5-methoxypyrimidin-2-yl)-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
(5-methoxypyrimidin-2-yl)-[7-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.29, 4 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-(2-methylpropyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 131683860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).