4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine

C13H21N3O — CID 66801525

IUPAC4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
SMILESCOCC1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C13H21N3O/c1-10-8-13(15-11(2)14-10)16-6-4-12(5-7-16)9-17-3/h8,12H,4-7,9H2,1-3H3
InChIKeyJTYFWOFEXICDBY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds3

About 4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine

4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine (PubChem CID 66801525) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
PubChem CID66801525
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
SMILESCOCC1CCN(c2cc(C)nc(C)n2)CC1
InChIInChI=1S/C13H21N3O/c1-10-8-13(15-11(2)14-10)16-6-4-12(5-7-16)9-17-3/h8,12H,4-7,9H2,1-3H3
InChIKeyJTYFWOFEXICDBY-UHFFFAOYSA-N
XLogP1.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80838759
[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine
CID 80911487
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
4-[3-(bromomethyl)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 80679967
1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63267845
4-[4-(ethoxymethyl)piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133460751
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 133336157
6-[4-(methoxymethyl)piperidin-1-yl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80959307
2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide
CID 63977859
4-chloro-6-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129471026
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrazol-3-amine
CID 107110293

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine?
The IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine (CID 66801525) is 4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine is COCC1CCN(c2cc(C)nc(C)n2)CC1.
What is the InChIKey of 4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine?
The InChIKey is JTYFWOFEXICDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-13(15-11(2)14-10)16-6-4-12(5-7-16)9-17-3/h8,12H,4-7,9H2,1-3H3.
What are the key properties of 4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine?
4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine has a molecular weight of 235.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine is sourced from PubChem (CID 66801525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).