methyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate

C10H12ClN3O2 — CID 58336152

IUPACmethyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCCC2)nc(Cl)n1
InChIInChI=1S/C10H12ClN3O2/c1-16-9(15)7-6-8(13-10(11)12-7)14-4-2-3-5-14/h6H,2-5H2,1H3
InChIKeyUIBPAUTYHHLEOW-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.52
Rot. Bonds2

About methyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate

methyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate (PubChem CID 58336152) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is methyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate
PubChem CID58336152
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Namemethyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCCC2)nc(Cl)n1
InChIInChI=1S/C10H12ClN3O2/c1-16-9(15)7-6-8(13-10(11)12-7)14-4-2-3-5-14/h6H,2-5H2,1H3
InChIKeyUIBPAUTYHHLEOW-UHFFFAOYSA-N
XLogP1.52
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate (CID 58336152) is methyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate is COC(=O)c1cc(N2CCCC2)nc(Cl)n1.
What is the InChIKey of methyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate?
The InChIKey is UIBPAUTYHHLEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-16-9(15)7-6-8(13-10(11)12-7)14-4-2-3-5-14/h6H,2-5H2,1H3.
What are the key properties of methyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate?
methyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate has a molecular weight of 241.68 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carboxylate is sourced from PubChem (CID 58336152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).