2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine

C16H16N4O — CID 80938865

IUPAC2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine
SMILESCCc1nc(NC)cc(Oc2cccc3cccnc23)n1
InChIInChI=1S/C16H16N4O/c1-3-13-19-14(17-2)10-15(20-13)21-12-8-4-6-11-7-5-9-18-16(11)12/h4-10H,3H2,1-2H3,(H,17,19,20)
InChIKeyJQAQAXNHLCBLSV-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.42
Rot. Bonds4

About 2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine

2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine (PubChem CID 80938865) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine
PubChem CID80938865
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine
SMILESCCc1nc(NC)cc(Oc2cccc3cccnc23)n1
InChIInChI=1S/C16H16N4O/c1-3-13-19-14(17-2)10-15(20-13)21-12-8-4-6-11-7-5-9-18-16(11)12/h4-10H,3H2,1-2H3,(H,17,19,20)
InChIKeyJQAQAXNHLCBLSV-UHFFFAOYSA-N
XLogP3.42
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80938850
N-methyl-6-quinolin-8-yloxypyridin-2-amine
CID 80881760
N,2-diethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80937644
8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline
CID 80938307
N-propyl-6-quinolin-8-yloxypyrimidin-4-amine
CID 80874681
2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine
CID 80942141
6-(3-bromophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941647
N-methyl-1-(6-quinolin-8-yloxy-2-pyridinyl)methanamine
CID 62321854
6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942372
N-propyl-6-quinolin-8-yloxypyridin-2-amine
CID 80874687
2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80938888
3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80941056

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine (CID 80938865) is 2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine is CCc1nc(NC)cc(Oc2cccc3cccnc23)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine?
The InChIKey is JQAQAXNHLCBLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-3-13-19-14(17-2)10-15(20-13)21-12-8-4-6-11-7-5-9-18-16(11)12/h4-10H,3H2,1-2H3,(H,17,19,20).
What are the key properties of 2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine?
2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine is sourced from PubChem (CID 80938865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).