2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid

C16H18N2O3 — CID 68888731

IUPAC2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid
SMILESCCCC(C(=O)O)c1ccc(-c2cnc(OC)nc2)cc1
InChIInChI=1S/C16H18N2O3/c1-3-4-14(15(19)20)12-7-5-11(6-8-12)13-9-17-16(21-2)18-10-13/h5-10,14H,3-4H2,1-2H3,(H,19,20)
InChIKeyRGQCUGGTKBTCKB-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.12
Rot. Bonds6

About 2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid

2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid (PubChem CID 68888731) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid.

Molecular Properties

Compound Name2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid
PubChem CID68888731
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid
SMILESCCCC(C(=O)O)c1ccc(-c2cnc(OC)nc2)cc1
InChIInChI=1S/C16H18N2O3/c1-3-4-14(15(19)20)12-7-5-11(6-8-12)13-9-17-16(21-2)18-10-13/h5-10,14H,3-4H2,1-2H3,(H,19,20)
InChIKeyRGQCUGGTKBTCKB-UHFFFAOYSA-N
XLogP3.12
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid
CID 68886862
2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid
CID 68887277
2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine
CID 66635090
4-(2-methoxypyrimidin-5-yl)phenol
CID 91659211
2-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 68887185
2-(4-cyclopropyloxyphenyl)pentanoic acid
CID 114520015
2-[4-(5-nonylpyrimidin-2-yl)phenyl]nonanoic acid
CID 172706688
2-[4-(diaminomethylideneamino)phenyl]pentanoic acid
CID 68913610
[4-(2-methoxypyrimidin-5-yl)phenyl]methylurea
CID 69125604
2-fluoro-5-(2-methoxypyrimidin-5-yl)benzoic acid
CID 112747590
2-(1-methylpyrazol-4-yl)pentanoic acid
CID 83042529
(Z)-2-(4-phenylphenyl)octadec-9-enoic acid
CID 163591600

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid?
The IUPAC name of 2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid (CID 68888731) is 2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid.
What is the SMILES notation for 2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid?
The canonical SMILES for 2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid is CCCC(C(=O)O)c1ccc(-c2cnc(OC)nc2)cc1.
What is the InChIKey of 2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid?
The InChIKey is RGQCUGGTKBTCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-4-14(15(19)20)12-7-5-11(6-8-12)13-9-17-16(21-2)18-10-13/h5-10,14H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid?
2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid is sourced from PubChem (CID 68888731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).