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

C17H25N5O3 — CID 97204991

IUPAC(4R)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cnc(N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)nc1N(C)C
InChIInChI=1S/C17H25N5O3/c1-11-10-18-16(19-14(11)20(2)3)22-7-5-17(6-8-22)12(15(24)25)9-13(23)21(17)4/h10,12H,5-9H2,1-4H3,(H,24,25)/t12-/m0/s1
InChIKeyXVGZZDWQUNDFBS-LBPRGKRZSA-N
MW347.42 g/mol
LogP0.75
Rot. Bonds3

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

(4R)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97204991) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (4R)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID97204991
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(4R)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cnc(N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)nc1N(C)C
InChIInChI=1S/C17H25N5O3/c1-11-10-18-16(19-14(11)20(2)3)22-7-5-17(6-8-22)12(15(24)25)9-13(23)21(17)4/h10,12H,5-9H2,1-4H3,(H,24,25)/t12-/m0/s1
InChIKeyXVGZZDWQUNDFBS-LBPRGKRZSA-N
XLogP0.75
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72882839
8-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72933500
(4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97202971
(3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol
CID 72877463
(4R)-8-(3-chloro-2-pyridinyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97194961
(4S)-8-(3-chloro-2-pyridinyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97194960
1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-3-phenylpyrrolidine-3-carboxylic acid
CID 137341839
8-[2-(dimethylamino)benzoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72841504
cyclobutyl-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1,4-diazepan-1-yl]methanone
CID 134710071
1-methyl-2-oxo-8-(5-propyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 122557880
1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72837196
1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 118738925

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4R)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97204991) is (4R)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4R)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4R)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1cnc(N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)nc1N(C)C.
What is the InChIKey of (4R)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is XVGZZDWQUNDFBS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11-10-18-16(19-14(11)20(2)3)22-7-5-17(6-8-22)12(15(24)25)9-13(23)21(17)4/h10,12H,5-9H2,1-4H3,(H,24,25)/t12-/m0/s1.
What are the key properties of (4R)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
(4R)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97204991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).