1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide

C18H28N4O4 — CID 118790375

IUPAC1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCC(C)N1CCC2(CCC(CNC(=O)c3cn(C)c(=O)[nH]c3=O)O2)CC1
InChIInChI=1S/C18H28N4O4/c1-12(2)22-8-6-18(7-9-22)5-4-13(26-18)10-19-15(23)14-11-21(3)17(25)20-16(14)24/h11-13H,4-10H2,1-3H3,(H,19,23)(H,20,24,25)
InChIKeyFQQHHFBPPPBMML-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.23
Rot. Bonds4

About 1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide

1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 118790375) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide
PubChem CID118790375
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCC(C)N1CCC2(CCC(CNC(=O)c3cn(C)c(=O)[nH]c3=O)O2)CC1
InChIInChI=1S/C18H28N4O4/c1-12(2)22-8-6-18(7-9-22)5-4-13(26-18)10-19-15(23)14-11-21(3)17(25)20-16(14)24/h11-13H,4-10H2,1-3H3,(H,19,23)(H,20,24,25)
InChIKeyFQQHHFBPPPBMML-UHFFFAOYSA-N
XLogP0.23
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide 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 1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide (CID 118790375) is 1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide is CC(C)N1CCC2(CCC(CNC(=O)c3cn(C)c(=O)[nH]c3=O)O2)CC1.
What is the InChIKey of 1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is FQQHHFBPPPBMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-12(2)22-8-6-18(7-9-22)5-4-13(26-18)10-19-15(23)14-11-21(3)17(25)20-16(14)24/h11-13H,4-10H2,1-3H3,(H,19,23)(H,20,24,25).
What are the key properties of 1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide?
1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dioxo-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 118790375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).