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

C20H32N8 — CID 72888584

IUPACN,N-dimethyl-2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCC(c3nnc(CN4CCCCC4)n3C)CC2)n1
InChIInChI=1S/C20H32N8/c1-25(2)17-7-10-21-20(22-17)28-13-8-16(9-14-28)19-24-23-18(26(19)3)15-27-11-5-4-6-12-27/h7,10,16H,4-6,8-9,11-15H2,1-3H3
InChIKeyJTOHRZLVVPGICU-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.04
Rot. Bonds5

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

N,N-dimethyl-2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 72888584) has the molecular formula C20H32N8 and a molecular weight of 384.53 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID72888584
Molecular FormulaC20H32N8
Molecular Weight384.53 g/mol
Exact Mass384.27
IUPAC NameN,N-dimethyl-2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCC(c3nnc(CN4CCCCC4)n3C)CC2)n1
InChIInChI=1S/C20H32N8/c1-25(2)17-7-10-21-20(22-17)28-13-8-16(9-14-28)19-24-23-18(26(19)3)15-27-11-5-4-6-12-27/h7,10,16H,4-6,8-9,11-15H2,1-3H3
InChIKeyJTOHRZLVVPGICU-UHFFFAOYSA-N
XLogP2.04
TPSA66.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

2-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 95895687
4-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 70712761
2-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 70756476
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]azepane
CID 72884249
2-ethyl-4-[[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyrimidine
CID 72882624
3-methyl-6-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
CID 70767796
2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 72853068
1-[[5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]azepane
CID 72887253
4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 95874854
1-[(2-ethylphenyl)methyl]-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70751340
2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 72841662
1-[(2-methylphenyl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72928742

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine (CID 72888584) is N,N-dimethyl-2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine is CN(C)c1ccnc(N2CCC(c3nnc(CN4CCCCC4)n3C)CC2)n1.
What is the InChIKey of N,N-dimethyl-2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is JTOHRZLVVPGICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N8/c1-25(2)17-7-10-21-20(22-17)28-13-8-16(9-14-28)19-24-23-18(26(19)3)15-27-11-5-4-6-12-27/h7,10,16H,4-6,8-9,11-15H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 384.53 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 72888584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).