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

C18H27N5O3 — CID 72896441

IUPAC1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCCCNc1ncc(CN2CCC3(CC2)C(C(=O)O)CC(=O)N3C)cn1
InChIInChI=1S/C18H27N5O3/c1-3-6-19-17-20-10-13(11-21-17)12-23-7-4-18(5-8-23)14(16(25)26)9-15(24)22(18)2/h10-11,14H,3-9,12H2,1-2H3,(H,25,26)(H,19,20,21)
InChIKeyKLRFFXXEBYUHTB-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.20
Rot. Bonds6

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

1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72896441) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72896441
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCCCNc1ncc(CN2CCC3(CC2)C(C(=O)O)CC(=O)N3C)cn1
InChIInChI=1S/C18H27N5O3/c1-3-6-19-17-20-10-13(11-21-17)12-23-7-4-18(5-8-23)14(16(25)26)9-15(24)22(18)2/h10-11,14H,3-9,12H2,1-2H3,(H,25,26)(H,19,20,21)
InChIKeyKLRFFXXEBYUHTB-UHFFFAOYSA-N
XLogP1.20
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(3S*,4S*)-4-cyclopropyl-1-{[2-(ethylamino)-5-pyrimidinyl]methyl}-3-pyrrolidinecarboxylic acid
CID 72931863
2-Acetyl-8-[(2-amino-5-pyrimidinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72898465
1-Methyl-2-oxo-8-(2-pyrimidinylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72926052
(4S)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204992
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
1-Pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-6-carboxylic acid
CID 123615540
(3S,5R)-5-(cyclopropylcarbamoyl)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3-carboxylic acid
CID 56918987
8-[2-(Methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70713692
2-Acetyl-8-{[2-(propylamino)-5-pyrimidinyl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70717377
8-[6-(Isopropylamino)pyrimidin-4-YL]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72839967

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72896441) is 1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CCCNc1ncc(CN2CCC3(CC2)C(C(=O)O)CC(=O)N3C)cn1.
What is the InChIKey of 1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is KLRFFXXEBYUHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-3-6-19-17-20-10-13(11-21-17)12-23-7-4-18(5-8-23)14(16(25)26)9-15(24)22(18)2/h10-11,14H,3-9,12H2,1-2H3,(H,25,26)(H,19,20,21).
What are the key properties of 1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 361.45 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-8-[[2-(propylamino)pyrimidin-5-yl]methyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72896441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).