9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one

C13H18N4O2 — CID 134071339

IUPAC9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(N2CCCC3(CCNC3=O)C2)ncn1
InChIInChI=1S/C13H18N4O2/c1-19-11-7-10(15-9-16-11)17-6-2-3-13(8-17)4-5-14-12(13)18/h7,9H,2-6,8H2,1H3,(H,14,18)
InChIKeyANKUTCGKHMNCJH-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.59
Rot. Bonds2

About 9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one

9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 134071339) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID134071339
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOc1cc(N2CCCC3(CCNC3=O)C2)ncn1
InChIInChI=1S/C13H18N4O2/c1-19-11-7-10(15-9-16-11)17-6-2-3-13(8-17)4-5-14-12(13)18/h7,9H,2-6,8H2,1H3,(H,14,18)
InChIKeyANKUTCGKHMNCJH-UHFFFAOYSA-N
XLogP0.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one (CID 134071339) is 9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one is COc1cc(N2CCCC3(CCNC3=O)C2)ncn1.
What is the InChIKey of 9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is ANKUTCGKHMNCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-19-11-7-10(15-9-16-11)17-6-2-3-13(8-17)4-5-14-12(13)18/h7,9H,2-6,8H2,1H3,(H,14,18).
What are the key properties of 9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 262.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 134071339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).