2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine

C17H21N3O — CID 80938646

IUPAC2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(OC2CCCc3ccccc32)n1
InChIInChI=1S/C17H21N3O/c1-3-15-19-16(18-2)11-17(20-15)21-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,11,14H,3,6,8,10H2,1-2H3,(H,18,19,20)
InChIKeyRPYWICYAXULDJM-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.54
Rot. Bonds4

About 2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine

2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine (PubChem CID 80938646) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine
PubChem CID80938646
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(OC2CCCc3ccccc32)n1
InChIInChI=1S/C17H21N3O/c1-3-15-19-16(18-2)11-17(20-15)21-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,11,14H,3,6,8,10H2,1-2H3,(H,18,19,20)
InChIKeyRPYWICYAXULDJM-UHFFFAOYSA-N
XLogP3.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
CID 80859900
2-ethyl-N-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine
CID 80942580
N-methyl-1-[6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridazin-3-yl]methanamine
CID 62291976
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyridin-2-amine
CID 62465313
2-tert-butyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
CID 164708968
2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine
CID 62859248
6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazin-2-amine
CID 80646899
2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid
CID 43166910
5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
CID 80860332
2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80938850
6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine
CID 116797621
N-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624562

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine (CID 80938646) is 2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine is CCc1nc(NC)cc(OC2CCCc3ccccc32)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine?
The InChIKey is RPYWICYAXULDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-15-19-16(18-2)11-17(20-15)21-14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,11,14H,3,6,8,10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine?
2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80938646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).