methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate

C12H16ClN3O2 — CID 133362813

IUPACmethyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(c2cc(Cl)nc(C)n2)C1
InChIInChI=1S/C12H16ClN3O2/c1-8-14-9(13)6-10(15-8)16-5-4-12(2,7-16)11(17)18-3/h6H,4-5,7H2,1-3H3
InChIKeyGGUGQMFJRVPKOG-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.83
Rot. Bonds2

About methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate

methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate (PubChem CID 133362813) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
PubChem CID133362813
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Namemethyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(c2cc(Cl)nc(C)n2)C1
InChIInChI=1S/C12H16ClN3O2/c1-8-14-9(13)6-10(15-8)16-5-4-12(2,7-16)11(17)18-3/h6H,4-5,7H2,1-3H3
InChIKeyGGUGQMFJRVPKOG-UHFFFAOYSA-N
XLogP1.83
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate (CID 133362813) is methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate is COC(=O)C1(C)CCN(c2cc(Cl)nc(C)n2)C1.
What is the InChIKey of methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate?
The InChIKey is GGUGQMFJRVPKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-8-14-9(13)6-10(15-8)16-5-4-12(2,7-16)11(17)18-3/h6H,4-5,7H2,1-3H3.
What are the key properties of methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate?
methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate has a molecular weight of 269.73 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 133362813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).