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

C15H22N2O3 — CID 43371647

IUPAC2-[1-(cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CC2CCCCC2)c(C)c1CC(=O)O
InChIInChI=1S/C15H22N2O3/c1-10-13(8-14(18)19)11(2)17(15(20)16-10)9-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,18,19)
InChIKeyCUZDIOPUEKMTQY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.07
Rot. Bonds4

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

2-[1-(cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 43371647) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID43371647
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[1-(cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CC2CCCCC2)c(C)c1CC(=O)O
InChIInChI=1S/C15H22N2O3/c1-10-13(8-14(18)19)11(2)17(15(20)16-10)9-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,18,19)
InChIKeyCUZDIOPUEKMTQY-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 63227243
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]propanoic acid
CID 105933296
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutyl)pyrimidin-5-yl]propanoic acid
CID 115521541
2-[4,6-Dimethyl-2-oxo-1-(5,5,5-trifluoropentyl)pyrimidin-5-yl]acetic acid
CID 115521542
2-[1-(Cyclopropylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43145172
2-(1-Butyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43145181
3-[4,6-Dimethyl-1-(3-methylbutyl)-2-oxopyrimidin-5-yl]propanoic acid
CID 43145182
2-(4,6-Dimethyl-2-oxo-1-pentylpyrimidin-5-yl)acetic acid
CID 43145184
2-(1-Butan-2-yl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
CID 43145192
3-[4,6-Dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]propanoic acid
CID 43145202
2-[4,6-Dimethyl-1-(2-methylpropyl)-2-oxopyrimidin-5-yl]acetic acid
CID 43145203
2-(4,6-Dimethyl-2-oxo-1-pentan-3-ylpyrimidin-5-yl)acetic acid
CID 43145204

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-(cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (CID 43371647) is 2-[1-(cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is Cc1nc(=O)n(CC2CCCCC2)c(C)c1CC(=O)O.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is CUZDIOPUEKMTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-13(8-14(18)19)11(2)17(15(20)16-10)9-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-(cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 43371647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).