methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate

C9H10Cl2N2O2 — CID 154663198

IUPACmethyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cc1c(Cl)ncnc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-5(9(14)15-2)3-6-7(10)12-4-13-8(6)11/h4-5H,3H2,1-2H3
InChIKeyRSNIAAZEEWFDSY-UHFFFAOYSA-N
MW249.10 g/mol
LogP2.13
Rot. Bonds3

About methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate

methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate (PubChem CID 154663198) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate
PubChem CID154663198
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Namemethyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cc1c(Cl)ncnc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-5(9(14)15-2)3-6-7(10)12-4-13-8(6)11/h4-5H,3H2,1-2H3
InChIKeyRSNIAAZEEWFDSY-UHFFFAOYSA-N
XLogP2.13
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate
CID 142833318
2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride
CID 170892708
methyl 3-(4-chlorophenyl)-2-(propan-2-ylamino)propanoate
CID 58866289
methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate
CID 134591352
methyl 2-methyl-3-phenylpropanoate
CID 11105919
(2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide
CID 114074252
methyl 3-(4-chlorophenoxy)-2-methylpropanoate
CID 43537622
methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate
CID 97184757
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
CID 51704146
methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
CID 122545540
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate (CID 154663198) is methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate is COC(=O)C(C)Cc1c(Cl)ncnc1Cl.
What is the InChIKey of methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate?
The InChIKey is RSNIAAZEEWFDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c1-5(9(14)15-2)3-6-7(10)12-4-13-8(6)11/h4-5H,3H2,1-2H3.
What are the key properties of methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate?
methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate has a molecular weight of 249.10 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,6-dichloropyrimidin-5-yl)-2-methylpropanoate is sourced from PubChem (CID 154663198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).