4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H26N4O4 — CID 77092542

IUPAC4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)Cc1cc(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)nc(=O)[nH]1
InChIInChI=1S/C18H26N4O4/c1-12(2)8-13-9-14(20-17(25)19-13)16(24)22-6-4-18(5-7-22)11-21(3)15(23)10-26-18/h9,12H,4-8,10-11H2,1-3H3,(H,19,20,25)
InChIKeyKJFLUIMVPJFTMW-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.43
Rot. Bonds3

About 4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 77092542) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID77092542
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)Cc1cc(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)nc(=O)[nH]1
InChIInChI=1S/C18H26N4O4/c1-12(2)8-13-9-14(20-17(25)19-13)16(24)22-6-4-18(5-7-22)11-21(3)15(23)10-26-18/h9,12H,4-8,10-11H2,1-3H3,(H,19,20,25)
InChIKeyKJFLUIMVPJFTMW-UHFFFAOYSA-N
XLogP0.43
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 77092542) is 4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)Cc1cc(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)nc(=O)[nH]1.
What is the InChIKey of 4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KJFLUIMVPJFTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-12(2)8-13-9-14(20-17(25)19-13)16(24)22-6-4-18(5-7-22)11-21(3)15(23)10-26-18/h9,12H,4-8,10-11H2,1-3H3,(H,19,20,25).
What are the key properties of 4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.43 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 77092542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).