6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine

C19H24N8 — CID 166238047

IUPAC6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine
SMILESCN(c1ccccc1)c1cc(N2CCCC(n3cc(CN)nn3)C2)ncn1
InChIInChI=1S/C19H24N8/c1-25(16-6-3-2-4-7-16)18-10-19(22-14-21-18)26-9-5-8-17(13-26)27-12-15(11-20)23-24-27/h2-4,6-7,10,12,14,17H,5,8-9,11,13,20H2,1H3
InChIKeyTXHNSXMEMFNGJC-UHFFFAOYSA-N
MW364.46 g/mol
LogP2.14
Rot. Bonds5

About 6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine

6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine (PubChem CID 166238047) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine
PubChem CID166238047
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine
SMILESCN(c1ccccc1)c1cc(N2CCCC(n3cc(CN)nn3)C2)ncn1
InChIInChI=1S/C19H24N8/c1-25(16-6-3-2-4-7-16)18-10-19(22-14-21-18)26-9-5-8-17(13-26)27-12-15(11-20)23-24-27/h2-4,6-7,10,12,14,17H,5,8-9,11,13,20H2,1H3
InChIKeyTXHNSXMEMFNGJC-UHFFFAOYSA-N
XLogP2.14
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-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 6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine (CID 166238047) is 6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine is CN(c1ccccc1)c1cc(N2CCCC(n3cc(CN)nn3)C2)ncn1.
What is the InChIKey of 6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine?
The InChIKey is TXHNSXMEMFNGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8/c1-25(16-6-3-2-4-7-16)18-10-19(22-14-21-18)26-9-5-8-17(13-26)27-12-15(11-20)23-24-27/h2-4,6-7,10,12,14,17H,5,8-9,11,13,20H2,1H3.
What are the key properties of 6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine?
6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine has a molecular weight of 364.46 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 166238047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).