2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C17H21N3O — CID 63351905

IUPAC2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCOc1ccccc1-c1nc(N)c2c(n1)CCCCC2
InChIInChI=1S/C17H21N3O/c1-2-21-15-11-7-6-9-13(15)17-19-14-10-5-3-4-8-12(14)16(18)20-17/h6-7,9,11H,2-5,8,10H2,1H3,(H2,18,19,20)
InChIKeyGYOGAERSCWTENA-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.39
Rot. Bonds3

About 2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 63351905) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID63351905
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCOc1ccccc1-c1nc(N)c2c(n1)CCCCC2
InChIInChI=1S/C17H21N3O/c1-2-21-15-11-7-6-9-13(15)17-19-14-10-5-3-4-8-12(14)16(18)20-17/h6-7,9,11H,2-5,8,10H2,1H3,(H2,18,19,20)
InChIKeyGYOGAERSCWTENA-UHFFFAOYSA-N
XLogP3.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of 2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 63351905) is 2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CCOc1ccccc1-c1nc(N)c2c(n1)CCCCC2.
What is the InChIKey of 2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is GYOGAERSCWTENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-21-15-11-7-6-9-13(15)17-19-14-10-5-3-4-8-12(14)16(18)20-17/h6-7,9,11H,2-5,8,10H2,1H3,(H2,18,19,20).
What are the key properties of 2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 63351905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).