2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid

C15H16N2O4 — CID 114585630

IUPAC2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid
SMILESCC(C)c1nc(Oc2ccc(CC(=O)O)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H16N2O4/c1-9(2)15-16-12(18)8-13(17-15)21-11-5-3-10(4-6-11)7-14(19)20/h3-6,8-9H,7H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyALZCCRVXOKEEHD-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.31
Rot. Bonds5

About 2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid

2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid (PubChem CID 114585630) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid
PubChem CID114585630
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid
SMILESCC(C)c1nc(Oc2ccc(CC(=O)O)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H16N2O4/c1-9(2)15-16-12(18)8-13(17-15)21-11-5-3-10(4-6-11)7-14(19)20/h3-6,8-9H,7H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyALZCCRVXOKEEHD-UHFFFAOYSA-N
XLogP2.31
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(aminomethyl)phenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114585914
4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241209
4-(4-bromophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114574312
4-[3-(aminomethyl)-5-methoxyphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103568180
4-(3-amino-5-bromophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103589203
4-[4-(aminomethyl)-2,6-dimethylphenoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114585964
2-[4-(5-methylpyridazin-3-yl)oxyphenyl]acetic acid
CID 106550443
4-(5-amino-2-bromophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103011768
4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578866
4-(4-amino-2-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578645
4-(2-amino-4,5-dichlorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 107501039
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid (CID 114585630) is 2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid is CC(C)c1nc(Oc2ccc(CC(=O)O)cc2)cc(=O)[nH]1.
What is the InChIKey of 2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid?
The InChIKey is ALZCCRVXOKEEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(2)15-16-12(18)8-13(17-15)21-11-5-3-10(4-6-11)7-14(19)20/h3-6,8-9H,7H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid?
2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid has a molecular weight of 288.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)oxy]phenyl]acetic acid is sourced from PubChem (CID 114585630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).