4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine

C11H16ClN3O — CID 129320611

IUPAC4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
SMILESCOC[C@@H]1CCCN1c1cc(Cl)nc(C)n1
InChIInChI=1S/C11H16ClN3O/c1-8-13-10(12)6-11(14-8)15-5-3-4-9(15)7-16-2/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyIILWIFMSSCZOND-VIFPVBQESA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds3

About 4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine

4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine (PubChem CID 129320611) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
PubChem CID129320611
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
SMILESCOC[C@@H]1CCCN1c1cc(Cl)nc(C)n1
InChIInChI=1S/C11H16ClN3O/c1-8-13-10(12)6-11(14-8)15-5-3-4-9(15)7-16-2/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyIILWIFMSSCZOND-VIFPVBQESA-N
XLogP2.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine (CID 129320611) is 4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine is COC[C@@H]1CCCN1c1cc(Cl)nc(C)n1.
What is the InChIKey of 4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine?
The InChIKey is IILWIFMSSCZOND-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-13-10(12)6-11(14-8)15-5-3-4-9(15)7-16-2/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of 4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine?
4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine has a molecular weight of 241.72 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 129320611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).