4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine

C13H21N3 — CID 105474903

IUPAC4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine
SMILESCc1nc(CC2CCCNC2)nc(C)c1C
InChIInChI=1S/C13H21N3/c1-9-10(2)15-13(16-11(9)3)7-12-5-4-6-14-8-12/h12,14H,4-8H2,1-3H3
InChIKeyURYJPSLDYHLAPS-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.94
Rot. Bonds2

About 4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine

4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine (PubChem CID 105474903) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine
PubChem CID105474903
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine
SMILESCc1nc(CC2CCCNC2)nc(C)c1C
InChIInChI=1S/C13H21N3/c1-9-10(2)15-13(16-11(9)3)7-12-5-4-6-14-8-12/h12,14H,4-8H2,1-3H3
InChIKeyURYJPSLDYHLAPS-UHFFFAOYSA-N
XLogP1.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-3-ylmethyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 105494778
5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 84792288
3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine
CID 84687878
2-cyclobutyl-4-methyl-5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 116885219
3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine
CID 62357214
4-[(4,6-dimethylpyrimidin-2-yl)methyl]azepane
CID 84685067
6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117130107
1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63221785
3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 105461179
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221782
N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081192
4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
CID 84638390

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine?
The IUPAC name of 4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine (CID 105474903) is 4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine.
What is the SMILES notation for 4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine?
The canonical SMILES for 4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine is Cc1nc(CC2CCCNC2)nc(C)c1C.
What is the InChIKey of 4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine?
The InChIKey is URYJPSLDYHLAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-10(2)15-13(16-11(9)3)7-12-5-4-6-14-8-12/h12,14H,4-8H2,1-3H3.
What are the key properties of 4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine?
4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine has a molecular weight of 219.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine is sourced from PubChem (CID 105474903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).