N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine

C16H22N4O — CID 103175513

IUPACN-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2ccc(C)nc2CC)nc1C
InChIInChI=1S/C16H22N4O/c1-5-14-15(8-7-11(3)19-14)21-16-18-10-13(9-17-6-2)12(4)20-16/h7-8,10,17H,5-6,9H2,1-4H3
InChIKeyTZDIWTXHYWJACO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.95
Rot. Bonds6

About N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine

N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine (PubChem CID 103175513) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine
PubChem CID103175513
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Oc2ccc(C)nc2CC)nc1C
InChIInChI=1S/C16H22N4O/c1-5-14-15(8-7-11(3)19-14)21-16-18-10-13(9-17-6-2)12(4)20-16/h7-8,10,17H,5-6,9H2,1-4H3
InChIKeyTZDIWTXHYWJACO-UHFFFAOYSA-N
XLogP2.95
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189385
N-[[2-(5-chloro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189159
N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine
CID 103175461
N-[[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 107660821
N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189135
5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine
CID 107089413
1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189072
N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine
CID 116803018
N-[[2-(2-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189598
N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine
CID 83188963
N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83195724
N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine
CID 83189196

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine (CID 103175513) is N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(Oc2ccc(C)nc2CC)nc1C.
What is the InChIKey of N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine?
The InChIKey is TZDIWTXHYWJACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-14-15(8-7-11(3)19-14)21-16-18-10-13(9-17-6-2)12(4)20-16/h7-8,10,17H,5-6,9H2,1-4H3.
What are the key properties of N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine?
N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 103175513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).