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

C16H24N2O3 — CID 63243997

IUPAC2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CC2CCC(C)CC2)c(C)c1CC(=O)O
InChIInChI=1S/C16H24N2O3/c1-10-4-6-13(7-5-10)9-18-12(3)14(8-15(19)20)11(2)17-16(18)21/h10,13H,4-9H2,1-3H3,(H,19,20)
InChIKeyQDGFUBSNIIWORW-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.31
Rot. Bonds4

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

2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 63243997) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid
PubChem CID63243997
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CC2CCC(C)CC2)c(C)c1CC(=O)O
InChIInChI=1S/C16H24N2O3/c1-10-4-6-13(7-5-10)9-18-12(3)14(8-15(19)20)11(2)17-16(18)21/h10,13H,4-9H2,1-3H3,(H,19,20)
InChIKeyQDGFUBSNIIWORW-UHFFFAOYSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1,1-dioxothiolan-2-yl)methyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 81043399
2-[1-[3-(cyclopropylamino)-3-oxopropyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 79376564
2-[4,6-dimethyl-1-[(3-methylcyclopentyl)methyl]-2-oxopyrimidin-5-yl]propanoic acid
CID 107414744
2-[1-(cyclopropylmethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid
CID 79220141
2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 103463520
2-[4,6-dimethyl-1-(2-methylsulfonylethyl)-2-oxopyrimidin-5-yl]acetic acid
CID 54934750
2-[1-(2-ethoxypropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 113478079
2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid
CID 62992897
2-[1-[2-(ethylsulfamoyl)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 106339700
2-[1-[2-(tert-butylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 115357140
2-[1-(3-ethylpentan-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 65038994
2-[4,6-dimethyl-1-(2-methylpentan-2-yl)-2-oxopyrimidin-5-yl]acetic acid
CID 113471957

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid (CID 63243997) is 2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid is Cc1nc(=O)n(CC2CCC(C)CC2)c(C)c1CC(=O)O.
What is the InChIKey of 2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is QDGFUBSNIIWORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10-4-6-13(7-5-10)9-18-12(3)14(8-15(19)20)11(2)17-16(18)21/h10,13H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid?
2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 63243997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).