5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione

C16H22N2O3 — CID 80649747

IUPAC5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C2C3(C)CCC(C3)C2(C)C)c1=O
InChIInChI=1S/C16H22N2O3/c1-9(19)11-8-17-14(21)18(12(11)20)13-15(2,3)10-5-6-16(13,4)7-10/h8,10,13H,5-7H2,1-4H3,(H,17,21)
InChIKeyCGUZAYJSXRNUCL-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.13
Rot. Bonds2

About 5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione

5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione (PubChem CID 80649747) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione
PubChem CID80649747
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C2C3(C)CCC(C3)C2(C)C)c1=O
InChIInChI=1S/C16H22N2O3/c1-9(19)11-8-17-14(21)18(12(11)20)13-15(2,3)10-5-6-16(13,4)7-10/h8,10,13H,5-7H2,1-4H3,(H,17,21)
InChIKeyCGUZAYJSXRNUCL-UHFFFAOYSA-N
XLogP2.13
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione (CID 80649747) is 5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(C2C3(C)CCC(C3)C2(C)C)c1=O.
What is the InChIKey of 5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione?
The InChIKey is CGUZAYJSXRNUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-9(19)11-8-17-14(21)18(12(11)20)13-15(2,3)10-5-6-16(13,4)7-10/h8,10,13H,5-7H2,1-4H3,(H,17,21).
What are the key properties of 5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione has a molecular weight of 290.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80649747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).