8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C17H24N4O3 — CID 72876189

IUPAC8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCCCc1cnc(C)nc1N1CCC2(CC1)NC(=O)CC2C(=O)O
InChIInChI=1S/C17H24N4O3/c1-3-4-12-10-18-11(2)19-15(12)21-7-5-17(6-8-21)13(16(23)24)9-14(22)20-17/h10,13H,3-9H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyVKFZKQPPINIXON-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.30
Rot. Bonds4

About 8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72876189) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72876189
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCCCc1cnc(C)nc1N1CCC2(CC1)NC(=O)CC2C(=O)O
InChIInChI=1S/C17H24N4O3/c1-3-4-12-10-18-11(2)19-15(12)21-7-5-17(6-8-21)13(16(23)24)9-14(22)20-17/h10,13H,3-9H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyVKFZKQPPINIXON-UHFFFAOYSA-N
XLogP1.30
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

8-(2-Methyl-5-propyl-4-pyrimidinyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56899484
8-[(2-Cyclopropyl-4-methyl-5-pyrimidinyl)carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72866758
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
(3S)-2-acetyl-8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95723544
(3S)-8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95873082
(4S)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204992
(3S*,4S*)-4-cyclopropyl-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 133119913
8-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72876461
(4S)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97195439
(4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97195440
10-(4,6-Diazaspiro[2.5]oct-5-en-5-ylamino)-3-(2-methylpyrimidin-5-yl)-10-oxodecanoic acid
CID 20622470

Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72876189) is 8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CCCc1cnc(C)nc1N1CCC2(CC1)NC(=O)CC2C(=O)O.
What is the InChIKey of 8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is VKFZKQPPINIXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-4-12-10-18-11(2)19-15(12)21-7-5-17(6-8-21)13(16(23)24)9-14(22)20-17/h10,13H,3-9H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-5-propylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72876189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).