2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid

C13H18N2O4 — CID 28690498

IUPAC2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
SMILESCc1[nH]c(=O)n(C2CCCCC2)c(=O)c1CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-8-10(7-11(16)17)12(18)15(13(19)14-8)9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,14,19)(H,16,17)
InChIKeyLEFCXGPZZOMMSG-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.98
Rot. Bonds3

About 2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid

2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 28690498) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID28690498
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
SMILESCc1[nH]c(=O)n(C2CCCCC2)c(=O)c1CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-8-10(7-11(16)17)12(18)15(13(19)14-8)9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,14,19)(H,16,17)
InChIKeyLEFCXGPZZOMMSG-UHFFFAOYSA-N
XLogP0.98
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(2-amino-2-oxoethyl)-3-(3-fluoropropyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 71019130
2-(2,6-Dimethyl-4-oxo-1,2,3-trihydropyrimidin-5-yl)acetic acid
CID 23794838
(3-Cyclohexyl-6-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690345
(6-Methyl-4-oxo-3-pentyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690414
(3-Cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690422
(3-Butyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690496
[3-(2-Cyclohex-1-en-1-ylethyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]acetic acid
CID 28690500
(6-Methyl-2,4-dioxo-3-pentyl-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690566
[6-Methyl-3-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]acetic acid
CID 28690568
(3,6-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690728
(3-Ethyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690730
4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid
CID 43359994

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid (CID 28690498) is 2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid is Cc1[nH]c(=O)n(C2CCCCC2)c(=O)c1CC(=O)O.
What is the InChIKey of 2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is LEFCXGPZZOMMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-10(7-11(16)17)12(18)15(13(19)14-8)9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,14,19)(H,16,17).
What are the key properties of 2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 28690498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).