2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid

C16H24N2O3 — CID 43145211

IUPAC2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(C2CCCC(C)C2C)c(C)c1CC(=O)O
InChIInChI=1S/C16H24N2O3/c1-9-6-5-7-14(10(9)2)18-12(4)13(8-15(19)20)11(3)17-16(18)21/h9-10,14H,5-8H2,1-4H3,(H,19,20)
InChIKeyWIMWHHNVLCGHAJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.48
Rot. Bonds3

About 2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid

2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 43145211) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID43145211
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(C2CCCC(C)C2C)c(C)c1CC(=O)O
InChIInChI=1S/C16H24N2O3/c1-9-6-5-7-14(10(9)2)18-12(4)13(8-15(19)20)11(3)17-16(18)21/h9-10,14H,5-8H2,1-4H3,(H,19,20)
InChIKeyWIMWHHNVLCGHAJ-UHFFFAOYSA-N
XLogP2.48
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4,6-Dimethyl-1-(4-methylcyclohexyl)-2-oxopyrimidin-5-yl]acetic acid
CID 43145216
2-(1-Cyclooctyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43327695
2-(1-Cyclohexyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43327747
3-[4,6-Dimethyl-1-(2-methylcyclohexyl)-2-oxopyrimidin-5-yl]propanoic acid
CID 43327758
2-[4,6-Dimethyl-1-(2-methylcyclohexyl)-2-oxopyrimidin-5-yl]acetic acid
CID 43327759
3-[4,6-Dimethyl-1-(4-methylcyclohexyl)-2-oxopyrimidin-5-yl]propanoic acid
CID 43327766
3-[4,6-Dimethyl-1-(3-methylcyclohexyl)-2-oxopyrimidin-5-yl]propanoic acid
CID 43370606
2-[4,6-Dimethyl-1-(3-methylcyclohexyl)-2-oxopyrimidin-5-yl]acetic acid
CID 43370607
2-[1-(Cyclopentylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43371270
3-[1-(Cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 43371646
2-[1-(Cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43371647
2-[4,6-Dimethyl-1-(4-methylpentan-2-yl)-2-oxopyrimidin-5-yl]acetic acid
CID 43372415

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (CID 43145211) is 2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is Cc1nc(=O)n(C2CCCC(C)C2C)c(C)c1CC(=O)O.
What is the InChIKey of 2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is WIMWHHNVLCGHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-9-6-5-7-14(10(9)2)18-12(4)13(8-15(19)20)11(3)17-16(18)21/h9-10,14H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylcyclohexyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 43145211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).