methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate

C15H16N2O2 — CID 116901184

IUPACmethyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate
SMILESCOC(=O)Cc1nccc(-c2cc(C)ccc2C)n1
InChIInChI=1S/C15H16N2O2/c1-10-4-5-11(2)12(8-10)13-6-7-16-14(17-13)9-15(18)19-3/h4-8H,9H2,1-3H3
InChIKeyNDDOWRJKTAELKO-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.48
Rot. Bonds3

About methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate

methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate (PubChem CID 116901184) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate
PubChem CID116901184
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Namemethyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate
SMILESCOC(=O)Cc1nccc(-c2cc(C)ccc2C)n1
InChIInChI=1S/C15H16N2O2/c1-10-4-5-11(2)12(8-10)13-6-7-16-14(17-13)9-15(18)19-3/h4-8H,9H2,1-3H3
InChIKeyNDDOWRJKTAELKO-UHFFFAOYSA-N
XLogP2.48
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-one
CID 116901561
[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
CID 82471015
methyl 2-[4-(2-bromophenyl)pyrimidin-2-yl]acetate
CID 116901222
1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]propan-2-one
CID 116901604
methyl 3-[4-(4-methylphenyl)pyrimidin-2-yl]propanoate
CID 116901312
(E)-3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]prop-2-enoic acid
CID 116901703
2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid
CID 116902104
ethane;methyl 2-(4-methyl-2-pyridinyl)acetate
CID 144506268
2-[4-(4-methylphenyl)pyrimidin-2-yl]acetic acid
CID 82391246
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]ethanol
CID 116899554
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
methyl 2-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate (CID 116901184) is methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate is COC(=O)Cc1nccc(-c2cc(C)ccc2C)n1.
What is the InChIKey of methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate?
The InChIKey is NDDOWRJKTAELKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-4-5-11(2)12(8-10)13-6-7-16-14(17-13)9-15(18)19-3/h4-8H,9H2,1-3H3.
What are the key properties of methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate?
methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate has a molecular weight of 256.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate is sourced from PubChem (CID 116901184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).