2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile

C19H24N8O — CID 171995820

IUPAC2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESCN(c1nccc(N2CCOCC2)n1)C1CCCN(c2nccc(C#N)n2)C1
InChIInChI=1S/C19H24N8O/c1-25(18-21-7-5-17(24-18)26-9-11-28-12-10-26)16-3-2-8-27(14-16)19-22-6-4-15(13-20)23-19/h4-7,16H,2-3,8-12,14H2,1H3
InChIKeyLSOZDWHEROKELS-UHFFFAOYSA-N
MW380.46 g/mol
LogP1.08
Rot. Bonds4

About 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile

2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 171995820) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile
PubChem CID171995820
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESCN(c1nccc(N2CCOCC2)n1)C1CCCN(c2nccc(C#N)n2)C1
InChIInChI=1S/C19H24N8O/c1-25(18-21-7-5-17(24-18)26-9-11-28-12-10-26)16-3-2-8-27(14-16)19-22-6-4-15(13-20)23-19/h4-7,16H,2-3,8-12,14H2,1H3
InChIKeyLSOZDWHEROKELS-UHFFFAOYSA-N
XLogP1.08
TPSA94.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 171994800
N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171993904
N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171997979
1-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166605206
2-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
CID 107543747
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998821
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900263
N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171995870
N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998822
N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175649067
N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902625
N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 172881656

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile (CID 171995820) is 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile is CN(c1nccc(N2CCOCC2)n1)C1CCCN(c2nccc(C#N)n2)C1.
What is the InChIKey of 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile?
The InChIKey is LSOZDWHEROKELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-25(18-21-7-5-17(24-18)26-9-11-28-12-10-26)16-3-2-8-27(14-16)19-22-6-4-15(13-20)23-19/h4-7,16H,2-3,8-12,14H2,1H3.
What are the key properties of 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile?
2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 380.46 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 171995820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).