N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine

C18H28N8O — CID 171995870

IUPACN-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCN(c1nccc(N2CCOCC2)n1)C1CCCN(Cc2ncnn2C)C1
InChIInChI=1S/C18H28N8O/c1-23(18-19-6-5-16(22-18)26-8-10-27-11-9-26)15-4-3-7-25(12-15)13-17-20-14-21-24(17)2/h5-6,14-15H,3-4,7-13H2,1-2H3
InChIKeyOCFNVMKMIQCFSS-UHFFFAOYSA-N
MW372.48 g/mol
LogP0.54
Rot. Bonds5

About N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine

N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 171995870) has the molecular formula C18H28N8O and a molecular weight of 372.48 g/mol. Its IUPAC name is N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID171995870
Molecular FormulaC18H28N8O
Molecular Weight372.48 g/mol
Exact Mass372.24
IUPAC NameN-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCN(c1nccc(N2CCOCC2)n1)C1CCCN(Cc2ncnn2C)C1
InChIInChI=1S/C18H28N8O/c1-23(18-19-6-5-16(22-18)26-8-10-27-11-9-26)15-4-3-7-25(12-15)13-17-20-14-21-24(17)2/h5-6,14-15H,3-4,7-13H2,1-2H3
InChIKeyOCFNVMKMIQCFSS-UHFFFAOYSA-N
XLogP0.54
TPSA75.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine (CID 171995870) is N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine is CN(c1nccc(N2CCOCC2)n1)C1CCCN(Cc2ncnn2C)C1.
What is the InChIKey of N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is OCFNVMKMIQCFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N8O/c1-23(18-19-6-5-16(22-18)26-8-10-27-11-9-26)15-4-3-7-25(12-15)13-17-20-14-21-24(17)2/h5-6,14-15H,3-4,7-13H2,1-2H3.
What are the key properties of N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 372.48 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 171995870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).