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

C20H30N4O3 — CID 72845238

IUPAC2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(C(=O)CCc3c(C)nc(=O)[nH]c3C)C2)C1=O
InChIInChI=1S/C20H30N4O3/c1-4-10-23-11-5-8-20(18(23)26)9-12-24(13-20)17(25)7-6-16-14(2)21-19(27)22-15(16)3/h4-13H2,1-3H3,(H,21,22,27)
InChIKeyYSCXMDZWHGUNJN-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.57
Rot. Bonds5

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

2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72845238) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72845238
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(C(=O)CCc3c(C)nc(=O)[nH]c3C)C2)C1=O
InChIInChI=1S/C20H30N4O3/c1-4-10-23-11-5-8-20(18(23)26)9-12-24(13-20)17(25)7-6-16-14(2)21-19(27)22-15(16)3/h4-13H2,1-3H3,(H,21,22,27)
InChIKeyYSCXMDZWHGUNJN-UHFFFAOYSA-N
XLogP1.57
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one (CID 72845238) is 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one is CCCN1CCCC2(CCN(C(=O)CCc3c(C)nc(=O)[nH]c3C)C2)C1=O.
What is the InChIKey of 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YSCXMDZWHGUNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-4-10-23-11-5-8-20(18(23)26)9-12-24(13-20)17(25)7-6-16-14(2)21-19(27)22-15(16)3/h4-13H2,1-3H3,(H,21,22,27).
What are the key properties of 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.49 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72845238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).