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

C13H18N2O3 — CID 114109221

IUPAC2-[1-(2-ethylcyclopropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCC1CC1n1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C13H18N2O3/c1-4-9-5-11(9)15-8(3)10(6-12(16)17)7(2)14-13(15)18/h9,11H,4-6H2,1-3H3,(H,16,17)
InChIKeyVLOZJXPVFQEKBJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.46
Rot. Bonds4

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

2-[1-(2-ethylcyclopropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 114109221) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[1-(2-ethylcyclopropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-ethylcyclopropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID114109221
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[1-(2-ethylcyclopropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCC1CC1n1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C13H18N2O3/c1-4-9-5-11(9)15-8(3)10(6-12(16)17)7(2)14-13(15)18/h9,11H,4-6H2,1-3H3,(H,16,17)
InChIKeyVLOZJXPVFQEKBJ-UHFFFAOYSA-N
XLogP1.46
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-ethylpiperidin-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 61478398
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
2-[4,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-2-oxopyrimidin-5-yl]acetic acid
CID 63243997
2-[1-(2,2-dimethylbutyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 103463520
2-[1-(4-bromophenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43145217
3-(1-cycloheptyl-4,6-dimethyl-2-oxopyrimidin-5-yl)propanoic acid
CID 43346221
2-[1-[3-(cyclopropylamino)-3-oxopropyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 79376564
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-(4,6-dimethyl-1-octan-2-yl-2-oxopyrimidin-5-yl)acetic acid
CID 61478439
2-[4,6-dimethyl-1-(2-methylsulfonylethyl)-2-oxopyrimidin-5-yl]acetic acid
CID 54934750

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylcyclopropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-(2-ethylcyclopropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (CID 114109221) is 2-[1-(2-ethylcyclopropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-ethylcyclopropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-(2-ethylcyclopropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is CCC1CC1n1c(C)c(CC(=O)O)c(C)nc1=O.
What is the InChIKey of 2-[1-(2-ethylcyclopropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is VLOZJXPVFQEKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-9-5-11(9)15-8(3)10(6-12(16)17)7(2)14-13(15)18/h9,11H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(2-ethylcyclopropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-(2-ethylcyclopropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylcyclopropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 114109221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).