9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C18H29N5O2 — CID 97495906

IUPAC9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOc1cc(N2CCC3(CC2)C(=O)N(C)CCN3CC(C)C)ncn1
InChIInChI=1S/C18H29N5O2/c1-14(2)12-23-10-9-21(3)17(24)18(23)5-7-22(8-6-18)15-11-16(25-4)20-13-19-15/h11,13-14H,5-10,12H2,1-4H3
InChIKeyIZTOTPAQPMFJCB-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.25
Rot. Bonds4

About 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one

9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97495906) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97495906
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOc1cc(N2CCC3(CC2)C(=O)N(C)CCN3CC(C)C)ncn1
InChIInChI=1S/C18H29N5O2/c1-14(2)12-23-10-9-21(3)17(24)18(23)5-7-22(8-6-18)15-11-16(25-4)20-13-19-15/h11,13-14H,5-10,12H2,1-4H3
InChIKeyIZTOTPAQPMFJCB-UHFFFAOYSA-N
XLogP1.25
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 175647933
8-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449930
1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane
CID 97484609
2-methoxy-7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonane
CID 97451275
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 165431973
1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one
CID 134070979
8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072418
2-[2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 163346191
7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451210
1-benzyl-8-[6-(methoxymethyl)pyrimidin-4-yl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165419738
9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 134071339

Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97495906) is 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one is COc1cc(N2CCC3(CC2)C(=O)N(C)CCN3CC(C)C)ncn1.
What is the InChIKey of 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is IZTOTPAQPMFJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14(2)12-23-10-9-21(3)17(24)18(23)5-7-22(8-6-18)15-11-16(25-4)20-13-19-15/h11,13-14H,5-10,12H2,1-4H3.
What are the key properties of 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 347.46 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97495906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).