4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine

C19H30N8 — CID 30853875

IUPAC4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCN(Cc1cn(C2CCN(c3ccnc(N)n3)CC2)nn1)C1CCCCC1
InChIInChI=1S/C19H30N8/c1-25(16-5-3-2-4-6-16)13-15-14-27(24-23-15)17-8-11-26(12-9-17)18-7-10-21-19(20)22-18/h7,10,14,16-17H,2-6,8-9,11-13H2,1H3,(H2,20,21,22)
InChIKeyJWYJQQPNUYRBQE-UHFFFAOYSA-N
MW370.51 g/mol
LogP2.26
Rot. Bonds5

About 4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine

4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 30853875) has the molecular formula C19H30N8 and a molecular weight of 370.51 g/mol. Its IUPAC name is 4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
PubChem CID30853875
Molecular FormulaC19H30N8
Molecular Weight370.51 g/mol
Exact Mass370.26
IUPAC Name4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCN(Cc1cn(C2CCN(c3ccnc(N)n3)CC2)nn1)C1CCCCC1
InChIInChI=1S/C19H30N8/c1-25(16-5-3-2-4-6-16)13-15-14-27(24-23-15)17-8-11-26(12-9-17)18-7-10-21-19(20)22-18/h7,10,14,16-17H,2-6,8-9,11-13H2,1H3,(H2,20,21,22)
InChIKeyJWYJQQPNUYRBQE-UHFFFAOYSA-N
XLogP2.26
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-((1-methyl-1H-imidazol-4-yl)methyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162640825
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 118965334
2-{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperazin-1-yl}-pyrimidine
CID 648855
2-{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperazin-1-yl}-pyrimidine
CID 654502
2-{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-pyrimidine
CID 6603034
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 137632745
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 137638711
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-ethyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 137642595
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-methyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 137649371
3-[4-[[2-[[1-[3-[3-(Cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-6-methylpyrimidin-4-yl]amino]piperidin-1-yl]propanenitrile
CID 137658485
6-chloro-2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 137662117
US9663526, Example 80
CID 118878312

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine (CID 30853875) is 4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine is CN(Cc1cn(C2CCN(c3ccnc(N)n3)CC2)nn1)C1CCCCC1.
What is the InChIKey of 4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is JWYJQQPNUYRBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8/c1-25(16-5-3-2-4-6-16)13-15-14-27(24-23-15)17-8-11-26(12-9-17)18-7-10-21-19(20)22-18/h7,10,14,16-17H,2-6,8-9,11-13H2,1H3,(H2,20,21,22).
What are the key properties of 4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine?
4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 370.51 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[[cyclohexyl(methyl)amino]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 30853875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).