2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium

C13H20N2OU — CID 142822927

IUPAC2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium
SMILESCCn1c(CC2CCCCC2)nccc1=O.[U]
InChIInChI=1S/C13H20N2O.U/c1-2-15-12(14-9-8-13(15)16)10-11-6-4-3-5-7-11;/h8-9,11H,2-7,10H2,1H3;
InChIKeyZIIYUZCJDRNTEH-UHFFFAOYSA-N
MW458.35 g/mol
LogP2.39
Rot. Bonds3

About 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium

2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium (PubChem CID 142822927) has the molecular formula C13H20N2OU and a molecular weight of 458.35 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium
PubChem CID142822927
Molecular FormulaC13H20N2OU
Molecular Weight458.35 g/mol
Exact Mass458.21
IUPAC Name2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium
SMILESCCn1c(CC2CCCCC2)nccc1=O.[U]
InChIInChI=1S/C13H20N2O.U/c1-2-15-12(14-9-8-13(15)16)10-11-6-4-3-5-7-11;/h8-9,11H,2-7,10H2,1H3;
InChIKeyZIIYUZCJDRNTEH-UHFFFAOYSA-N
XLogP2.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 7-methyl
CID 529097
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 8-methyl
CID 529098
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 9-methyl
CID 529099
10-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 20488290
2-(Cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286796
2-(2-Cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286828
2-(Cyclohexylmethyl)-3-ethylpyrimidin-4-one
CID 59164977
5-bromo-2-(cyclohexylmethyl)-3-methylpyrimidin-4(3H)-one
CID 68517018
2-(cyclohexylmethyl)-1H-pyrimidin-6-one
CID 126997626
2-Cyclohexyl-6-hydroxy-3-pentan-3-ylpyrimidin-4-one
CID 136364427
2-Cyclohexyl-6-hydroxy-3-pentylpyrimidin-4-one
CID 136364428
2-Cyclopentyl-3-methylpyrimidin-4-one
CID 154380161

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium?
The IUPAC name of 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium (CID 142822927) is 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium.
What is the SMILES notation for 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium?
The canonical SMILES for 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium is CCn1c(CC2CCCCC2)nccc1=O.[U].
What is the InChIKey of 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium?
The InChIKey is ZIIYUZCJDRNTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.U/c1-2-15-12(14-9-8-13(15)16)10-11-6-4-3-5-7-11;/h8-9,11H,2-7,10H2,1H3;.
What are the key properties of 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium?
2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium has a molecular weight of 458.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium is sourced from PubChem (CID 142822927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).