methyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate

C10H13ClN2O3 — CID 139509934

IUPACmethyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cc(OC)nc(Cl)n1
InChIInChI=1S/C10H13ClN2O3/c1-10(2,8(14)16-4)6-5-7(15-3)13-9(11)12-6/h5H,1-4H3
InChIKeyFTEPCDHTWDGJNC-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.59
Rot. Bonds3

About methyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate

methyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate (PubChem CID 139509934) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is methyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate
PubChem CID139509934
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Namemethyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cc(OC)nc(Cl)n1
InChIInChI=1S/C10H13ClN2O3/c1-10(2,8(14)16-4)6-5-7(15-3)13-9(11)12-6/h5H,1-4H3
InChIKeyFTEPCDHTWDGJNC-UHFFFAOYSA-N
XLogP1.59
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate (CID 139509934) is methyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate is COC(=O)C(C)(C)c1cc(OC)nc(Cl)n1.
What is the InChIKey of methyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate?
The InChIKey is FTEPCDHTWDGJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-10(2,8(14)16-4)6-5-7(15-3)13-9(11)12-6/h5H,1-4H3.
What are the key properties of methyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate?
methyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate has a molecular weight of 244.68 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-6-methoxypyrimidin-4-yl)-2-methylpropanoate is sourced from PubChem (CID 139509934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).