1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H26N4O3 — CID 72918726

IUPAC1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCCCc1nc(C)cc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)n1
InChIInChI=1S/C18H26N4O3/c1-4-5-14-19-12(2)10-15(20-14)22-8-6-18(7-9-22)13(17(24)25)11-16(23)21(18)3/h10,13H,4-9,11H2,1-3H3,(H,24,25)
InChIKeyXZPRHCHIBHINJK-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.64
Rot. Bonds4

About 1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72918726) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72918726
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCCCc1nc(C)cc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)n1
InChIInChI=1S/C18H26N4O3/c1-4-5-14-19-12(2)10-15(20-14)22-8-6-18(7-9-22)13(17(24)25)11-16(23)21(18)3/h10,13H,4-9,11H2,1-3H3,(H,24,25)
InChIKeyXZPRHCHIBHINJK-UHFFFAOYSA-N
XLogP1.64
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-Amino-6-methylpyrimidin-4-YL)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72860015
1-Methyl-2-oxo-8-(2-pyrimidinylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72926052
8-(6-Cyclopropyl-4-pyrimidinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72934677
2-[3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-2-oxo-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 168158482
2-[(1S,5R,6R)-3-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-2-oxo-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 169691153
trans-(1R,2R)-2-[ethyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 136589497
(1R,5S)-3-(2-ethyl-6-methylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid;2,2,2-trifluoroacetic acid
CID 154916244
(1R,5S)-3-(6-methyl-2-propylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid;2,2,2-trifluoroacetic acid
CID 154916401
7-Methyl-2-(6-methyl-2-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 56742768
6-(2,6-Dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
CID 122160555
2-[3-[4-Methyl-6-(2-methylazetidin-1-yl)pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 174197612
2-[3-[4-methyl-6-[(2S)-2-methylazetidin-1-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 174197628

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72918726) is 1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CCCc1nc(C)cc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)n1.
What is the InChIKey of 1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is XZPRHCHIBHINJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-5-14-19-12(2)10-15(20-14)22-8-6-18(7-9-22)13(17(24)25)11-16(23)21(18)3/h10,13H,4-9,11H2,1-3H3,(H,24,25).
What are the key properties of 1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(6-methyl-2-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72918726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).