4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine

C13H21N3O — CID 123680686

IUPAC4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine
SMILESCCOCC1CCCN(c2ccnc(C)n2)C1
InChIInChI=1S/C13H21N3O/c1-3-17-10-12-5-4-8-16(9-12)13-6-7-14-11(2)15-13/h6-7,12H,3-5,8-10H2,1-2H3
InChIKeyKSGBEVHMCVMHSM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.04
Rot. Bonds4

About 4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine

4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine (PubChem CID 123680686) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine
PubChem CID123680686
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine
SMILESCCOCC1CCCN(c2ccnc(C)n2)C1
InChIInChI=1S/C13H21N3O/c1-3-17-10-12-5-4-8-16(9-12)13-6-7-14-11(2)15-13/h6-7,12H,3-5,8-10H2,1-2H3
InChIKeyKSGBEVHMCVMHSM-UHFFFAOYSA-N
XLogP2.04
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129471026
2-chloro-3-[3-(ethoxymethyl)piperidin-1-yl]pyrazine
CID 121201431
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine
CID 110100546
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 75431426
2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310053
4-(4-cyclopentylpiperazin-1-yl)-2-methylpyrimidine
CID 121184719
1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane
CID 154742612
1-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976873
2-[3-(methoxymethyl)piperidin-1-yl]pyridin-4-amine
CID 106585882
6-[3-(phenoxymethyl)piperidin-1-yl]pyrido[2,3-b]pyrazine
CID 133308222

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine (CID 123680686) is 4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine is CCOCC1CCCN(c2ccnc(C)n2)C1.
What is the InChIKey of 4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine?
The InChIKey is KSGBEVHMCVMHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-17-10-12-5-4-8-16(9-12)13-6-7-14-11(2)15-13/h6-7,12H,3-5,8-10H2,1-2H3.
What are the key properties of 4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine?
4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine has a molecular weight of 235.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 123680686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).