2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine

C15H22N6 — CID 164640534

IUPAC2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine
SMILESCc1nc(C)c(C)c(N2CCC[C@H](c3cn(C)nn3)C2)n1
InChIInChI=1S/C15H22N6/c1-10-11(2)16-12(3)17-15(10)21-7-5-6-13(8-21)14-9-20(4)19-18-14/h9,13H,5-8H2,1-4H3/t13-/m0/s1
InChIKeyUFRUWROIIOUOGN-ZDUSSCGKSA-N
MW286.38 g/mol
LogP1.91
Rot. Bonds2

About 2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine

2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine (PubChem CID 164640534) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine
PubChem CID164640534
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine
SMILESCc1nc(C)c(C)c(N2CCC[C@H](c3cn(C)nn3)C2)n1
InChIInChI=1S/C15H22N6/c1-10-11(2)16-12(3)17-15(10)21-7-5-6-13(8-21)14-9-20(4)19-18-14/h9,13H,5-8H2,1-4H3/t13-/m0/s1
InChIKeyUFRUWROIIOUOGN-ZDUSSCGKSA-N
XLogP1.91
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine (CID 164640534) is 2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine is Cc1nc(C)c(C)c(N2CCC[C@H](c3cn(C)nn3)C2)n1.
What is the InChIKey of 2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine?
The InChIKey is UFRUWROIIOUOGN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N6/c1-10-11(2)16-12(3)17-15(10)21-7-5-6-13(8-21)14-9-20(4)19-18-14/h9,13H,5-8H2,1-4H3/t13-/m0/s1.
What are the key properties of 2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine?
2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine has a molecular weight of 286.38 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 164640534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).