2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine

C17H26N6 — CID 29184754

IUPAC2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
SMILESCCCc1cn(C[C@@H]2CCCN(Cc3cnc(C)nc3)C2)nn1
InChIInChI=1S/C17H26N6/c1-3-5-17-13-23(21-20-17)12-15-6-4-7-22(10-15)11-16-8-18-14(2)19-9-16/h8-9,13,15H,3-7,10-12H2,1-2H3/t15-/m1/s1
InChIKeyCPIUFHFMBFEJIO-OAHLLOKOSA-N
MW314.44 g/mol
LogP2.24
Rot. Bonds6

About 2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine

2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine (PubChem CID 29184754) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
PubChem CID29184754
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
SMILESCCCc1cn(C[C@@H]2CCCN(Cc3cnc(C)nc3)C2)nn1
InChIInChI=1S/C17H26N6/c1-3-5-17-13-23(21-20-17)12-15-6-4-7-22(10-15)11-16-8-18-14(2)19-9-16/h8-9,13,15H,3-7,10-12H2,1-2H3/t15-/m1/s1
InChIKeyCPIUFHFMBFEJIO-OAHLLOKOSA-N
XLogP2.24
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-(1-{[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl}-1H-1,2,3-triazol-4-yl)methanamine
CID 46989602
(1-{[1-(2-methyl-5-propyl-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanol
CID 29105639
[(1-{[1-(4,6-dimethyl-2-pyrimidinyl)-3-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]dimethylamine bis(trifluoroacetate)
CID 45205552
1-(1-{[1-(2-methyl-5-propyl-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)ethanol trifluoroacetate (salt)
CID 45211277
6-[4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)piperidin-1-yl]-N-isopropylpyrimidin-4-amine
CID 46995038
6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine
CID 46998993
2-[3-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-4-methylpyrimidine
CID 72868863
2-Methyl-5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 118739889
4-Methyl-6-[3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 118740104
({4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)dimethylamine
CID 72838733
4-[4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)piperidin-1-yl]-6-(4-methyl-1H-pyrazol-1-yl)pyrimidine
CID 46994921
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine
CID 71857315

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine (CID 29184754) is 2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine is CCCc1cn(C[C@@H]2CCCN(Cc3cnc(C)nc3)C2)nn1.
What is the InChIKey of 2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine?
The InChIKey is CPIUFHFMBFEJIO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N6/c1-3-5-17-13-23(21-20-17)12-15-6-4-7-22(10-15)11-16-8-18-14(2)19-9-16/h8-9,13,15H,3-7,10-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine?
2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine has a molecular weight of 314.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(3R)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 29184754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).