5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine

C18H28N8 — CID 45217746

IUPAC5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine
SMILESCc1cnc(N2CCCC(Cn3cc(CN4CCCC4)nn3)C2)nc1N
InChIInChI=1S/C18H28N8/c1-14-9-20-18(21-17(14)19)25-8-4-5-15(10-25)11-26-13-16(22-23-26)12-24-6-2-3-7-24/h9,13,15H,2-8,10-12H2,1H3,(H2,19,20,21)
InChIKeySBKKPPOOZVGFMB-UHFFFAOYSA-N
MW356.48 g/mol
LogP1.47
Rot. Bonds5

About 5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine

5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 45217746) has the molecular formula C18H28N8 and a molecular weight of 356.48 g/mol. Its IUPAC name is 5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID45217746
Molecular FormulaC18H28N8
Molecular Weight356.48 g/mol
Exact Mass356.24
IUPAC Name5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine
SMILESCc1cnc(N2CCCC(Cn3cc(CN4CCCC4)nn3)C2)nc1N
InChIInChI=1S/C18H28N8/c1-14-9-20-18(21-17(14)19)25-8-4-5-15(10-25)11-26-13-16(22-23-26)12-24-6-2-3-7-24/h9,13,15H,2-8,10-12H2,1H3,(H2,19,20,21)
InChIKeySBKKPPOOZVGFMB-UHFFFAOYSA-N
XLogP1.47
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine with MolForge

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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
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118747084
2-tert-butyl-6-(3,3-difluoropyrrolidin-1-yl)-5-methanimidoyl-N-[(3-methyltriazol-4-yl)methyl]pyrimidin-4-amine
CID 144695855
[2-Tert-butyl-4-(3,3-difluoropyrrolidin-1-yl)-6-[(3-methyltriazol-4-yl)methylamino]pyrimidin-5-yl]methylideneazanium
CID 163937688
1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 75496981
1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 121552084
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 125139427
(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 125139428
4-[3-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 128323324
2-[3-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6-pyrazol-1-ylpyrazine
CID 128323340
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128967130
1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 128971375

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine (CID 45217746) is 5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine is Cc1cnc(N2CCCC(Cn3cc(CN4CCCC4)nn3)C2)nc1N.
What is the InChIKey of 5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is SBKKPPOOZVGFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N8/c1-14-9-20-18(21-17(14)19)25-8-4-5-15(10-25)11-26-13-16(22-23-26)12-24-6-2-3-7-24/h9,13,15H,2-8,10-12H2,1H3,(H2,19,20,21).
What are the key properties of 5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine?
5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 356.48 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 45217746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).