N-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine

C21H25N7O — CID 166291698

IUPACN-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine
SMILESCCN(C)Cc1cc(OC2CCN(c3cc(-c4ncccn4)ncn3)C2)ccn1
InChIInChI=1S/C21H25N7O/c1-3-27(2)13-16-11-17(5-9-22-16)29-18-6-10-28(14-18)20-12-19(25-15-26-20)21-23-7-4-8-24-21/h4-5,7-9,11-12,15,18H,3,6,10,13-14H2,1-2H3
InChIKeyXPTGOLNWAYYLAL-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.44
Rot. Bonds7

About N-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine

N-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine (PubChem CID 166291698) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is N-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine
PubChem CID166291698
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC NameN-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine
SMILESCCN(C)Cc1cc(OC2CCN(c3cc(-c4ncccn4)ncn3)C2)ccn1
InChIInChI=1S/C21H25N7O/c1-3-27(2)13-16-11-17(5-9-22-16)29-18-6-10-28(14-18)20-12-19(25-15-26-20)21-23-7-4-8-24-21/h4-5,7-9,11-12,15,18H,3,6,10,13-14H2,1-2H3
InChIKeyXPTGOLNWAYYLAL-UHFFFAOYSA-N
XLogP2.44
TPSA80.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N,N-dimethyl-1-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine
CID 154753505
[4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]methanamine
CID 62288053
N-[[4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]methyl]cyclopropanamine
CID 62288585
[3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 154761996
N,N-dimethyl-1-[4-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine
CID 154753697
4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine
CID 93480995
5-[[3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]methyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 154753698
4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline
CID 175670707
N,N-dimethyl-1-[4-[1-(2-methyl-3-methylsulfonylpropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]methanamine
CID 154753706
4-methoxy-6-(4-pyridin-3-yloxypiperidin-1-yl)pyrimidine
CID 50962504
3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole
CID 159514532
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133462129

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine (CID 166291698) is N-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine is CCN(C)Cc1cc(OC2CCN(c3cc(-c4ncccn4)ncn3)C2)ccn1.
What is the InChIKey of N-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine?
The InChIKey is XPTGOLNWAYYLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-3-27(2)13-16-11-17(5-9-22-16)29-18-6-10-28(14-18)20-12-19(25-15-26-20)21-23-7-4-8-24-21/h4-5,7-9,11-12,15,18H,3,6,10,13-14H2,1-2H3.
What are the key properties of N-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine?
N-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine has a molecular weight of 391.48 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[1-(6-pyrimidin-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxy-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 166291698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).