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

C12H18ClN3O — CID 129322392

IUPAC4-chloro-6-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidine
SMILESCOC[C@@H]1CCCCN1c1cc(Cl)nc(C)n1
InChIInChI=1S/C12H18ClN3O/c1-9-14-11(13)7-12(15-9)16-6-4-3-5-10(16)8-17-2/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyWPSSKRBKNZYBKP-JTQLQIEISA-N
MW255.75 g/mol
LogP2.44
Rot. Bonds3

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

4-chloro-6-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidine (PubChem CID 129322392) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-6-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidine
PubChem CID129322392
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-chloro-6-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidine
SMILESCOC[C@@H]1CCCCN1c1cc(Cl)nc(C)n1
InChIInChI=1S/C12H18ClN3O/c1-9-14-11(13)7-12(15-9)16-6-4-3-5-10(16)8-17-2/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyWPSSKRBKNZYBKP-JTQLQIEISA-N
XLogP2.44
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.44
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)piperidin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidine (CID 129322392) is 4-chloro-6-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidine is COC[C@@H]1CCCCN1c1cc(Cl)nc(C)n1.
What is the InChIKey of 4-chloro-6-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidine?
The InChIKey is WPSSKRBKNZYBKP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-9-14-11(13)7-12(15-9)16-6-4-3-5-10(16)8-17-2/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 4-chloro-6-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidine?
4-chloro-6-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidine has a molecular weight of 255.75 g/mol, XLogP of 2.44, 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)piperidin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 129322392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).