5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione

C19H26N4O4 — CID 72906881

IUPAC5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCCC3(CCC(=O)N(C4CC4)C3)C2)c1=O
InChIInChI=1S/C19H26N4O4/c1-21-17(26)13(10-20-18(21)27)9-16(25)22-8-2-6-19(11-22)7-5-15(24)23(12-19)14-3-4-14/h10,14H,2-9,11-12H2,1H3,(H,20,27)
InChIKeyPCEHDWLCIRQGFQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.01
Rot. Bonds3

About 5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione

5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 72906881) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID72906881
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCCC3(CCC(=O)N(C4CC4)C3)C2)c1=O
InChIInChI=1S/C19H26N4O4/c1-21-17(26)13(10-20-18(21)27)9-16(25)22-8-2-6-19(11-22)7-5-15(24)23(12-19)14-3-4-14/h10,14H,2-9,11-12H2,1H3,(H,20,27)
InChIKeyPCEHDWLCIRQGFQ-UHFFFAOYSA-N
XLogP0.01
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione (CID 72906881) is 5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(CC(=O)N2CCCC3(CCC(=O)N(C4CC4)C3)C2)c1=O.
What is the InChIKey of 5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is PCEHDWLCIRQGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-21-17(26)13(10-20-18(21)27)9-16(25)22-8-2-6-19(11-22)7-5-15(24)23(12-19)14-3-4-14/h10,14H,2-9,11-12H2,1H3,(H,20,27).
What are the key properties of 5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72906881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).