(5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C20H30N4O3 — CID 97146542

IUPAC(5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CC[C@]2(CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C20H30N4O3/c1-13(2)24-10-5-8-20(18(24)26)9-11-23(12-20)17(25)7-6-16-14(3)21-19(27)22-15(16)4/h13H,5-12H2,1-4H3,(H,21,22,27)/t20-/m1/s1
InChIKeyBGXZIEASDDRUPW-HXUWFJFHSA-N
MW374.49 g/mol
LogP1.57
Rot. Bonds4

About (5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97146542) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97146542
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name(5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CC[C@]2(CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C20H30N4O3/c1-13(2)24-10-5-8-20(18(24)26)9-11-23(12-20)17(25)7-6-16-14(3)21-19(27)22-15(16)4/h13H,5-12H2,1-4H3,(H,21,22,27)/t20-/m1/s1
InChIKeyBGXZIEASDDRUPW-HXUWFJFHSA-N
XLogP1.57
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Launch Full Analysis

Related Compounds

5-[3-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 95721623
5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione
CID 97136315
7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72924434
(5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97125136
1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione
CID 97141632
(5R)-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97146990
1-[2-oxo-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)ethyl]pyrimidine-2,4-dione
CID 72908248
(5S)-2-(4-phenoxybutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97122223
(5S)-2-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97123414
3-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,3-oxazolidin-2-one
CID 97134718
(2S)-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methylpiperidine-2-carboxylic acid
CID 99974094
2-(2-methyl-1H-pyrrole-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72847802

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 97146542) is (5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CC[C@]2(CCCN(C(C)C)C2=O)C1.
What is the InChIKey of (5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BGXZIEASDDRUPW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-13(2)24-10-5-8-20(18(24)26)9-11-23(12-20)17(25)7-6-16-14(3)21-19(27)22-15(16)4/h13H,5-12H2,1-4H3,(H,21,22,27)/t20-/m1/s1.
What are the key properties of (5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.49 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97146542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).