4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine

C12H18ClN3 — CID 83135757

IUPAC4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine
SMILESCCC1CCC(C)N1c1cc(Cl)nc(C)n1
InChIInChI=1S/C12H18ClN3/c1-4-10-6-5-8(2)16(10)12-7-11(13)14-9(3)15-12/h7-8,10H,4-6H2,1-3H3
InChIKeyCXCSDVKIOBBOGN-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.21
Rot. Bonds2

About 4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine

4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine (PubChem CID 83135757) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine
PubChem CID83135757
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine
SMILESCCC1CCC(C)N1c1cc(Cl)nc(C)n1
InChIInChI=1S/C12H18ClN3/c1-4-10-6-5-8(2)16(10)12-7-11(13)14-9(3)15-12/h7-8,10H,4-6H2,1-3H3
InChIKeyCXCSDVKIOBBOGN-UHFFFAOYSA-N
XLogP3.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine (CID 83135757) is 4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine is CCC1CCC(C)N1c1cc(Cl)nc(C)n1.
What is the InChIKey of 4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine?
The InChIKey is CXCSDVKIOBBOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-4-10-6-5-8(2)16(10)12-7-11(13)14-9(3)15-12/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine?
4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine has a molecular weight of 239.75 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine is sourced from PubChem (CID 83135757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).