2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid

C16H18N2O2 — CID 82488194

IUPAC2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid
SMILESCc1cc(C)c(C)c(-c2ccnc(CC(=O)O)n2)c1C
InChIInChI=1S/C16H18N2O2/c1-9-7-10(2)12(4)16(11(9)3)13-5-6-17-14(18-13)8-15(19)20/h5-7H,8H2,1-4H3,(H,19,20)
InChIKeyLPUHYWHPICOPKW-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.00
Rot. Bonds3

About 2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid

2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid (PubChem CID 82488194) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid
PubChem CID82488194
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid
SMILESCc1cc(C)c(C)c(-c2ccnc(CC(=O)O)n2)c1C
InChIInChI=1S/C16H18N2O2/c1-9-7-10(2)12(4)16(11(9)3)13-5-6-17-14(18-13)8-15(19)20/h5-7H,8H2,1-4H3,(H,19,20)
InChIKeyLPUHYWHPICOPKW-UHFFFAOYSA-N
XLogP3.00
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methanamine
CID 82477561
2-[4-(4-methylphenyl)pyrimidin-2-yl]acetic acid
CID 82391246
N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine
CID 116898515
2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid
CID 82490188
2-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid
CID 82490190
2-[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]acetic acid
CID 116899794
2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]acetic acid
CID 82483287
1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]propan-2-one
CID 116901604
2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid
CID 84661261
2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine
CID 116898708
2-(4-propoxypyrimidin-2-yl)acetic acid
CID 104571285
2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid
CID 82481705

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid (CID 82488194) is 2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid is Cc1cc(C)c(C)c(-c2ccnc(CC(=O)O)n2)c1C.
What is the InChIKey of 2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid?
The InChIKey is LPUHYWHPICOPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-9-7-10(2)12(4)16(11(9)3)13-5-6-17-14(18-13)8-15(19)20/h5-7H,8H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid?
2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 82488194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).