N-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine

C18H26N8 — CID 72921028

IUPACN-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1nn(C)c(C)c1CN(C)C1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C18H26N8/c1-12-15(13(2)25(4)23-12)9-24(3)14-5-7-26(8-6-14)18-16-17(20-10-19-16)21-11-22-18/h10-11,14H,5-9H2,1-4H3,(H,19,20,21,22)
InChIKeyDKCPYQNHWKTCFD-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.80
Rot. Bonds4

About N-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine

N-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 72921028) has the molecular formula C18H26N8 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID72921028
Molecular FormulaC18H26N8
Molecular Weight354.46 g/mol
Exact Mass354.23
IUPAC NameN-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1nn(C)c(C)c1CN(C)C1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C18H26N8/c1-12-15(13(2)25(4)23-12)9-24(3)14-5-7-26(8-6-14)18-16-17(20-10-19-16)21-11-22-18/h10-11,14H,5-9H2,1-4H3,(H,19,20,21,22)
InChIKeyDKCPYQNHWKTCFD-UHFFFAOYSA-N
XLogP1.80
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine 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 N-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine (CID 72921028) is N-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine is Cc1nn(C)c(C)c1CN(C)C1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of N-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is DKCPYQNHWKTCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8/c1-12-15(13(2)25(4)23-12)9-24(3)14-5-7-26(8-6-14)18-16-17(20-10-19-16)21-11-22-18/h10-11,14H,5-9H2,1-4H3,(H,19,20,21,22).
What are the key properties of N-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine?
N-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7H-purin-6-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 72921028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).