2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine

C18H20N2O — CID 10446399

IUPAC2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine
SMILESCOc1ccc2ccccc2c1/C=C\C1=NCCCN1C
InChIInChI=1S/C18H20N2O/c1-20-13-5-12-19-18(20)11-9-16-15-7-4-3-6-14(15)8-10-17(16)21-2/h3-4,6-11H,5,12-13H2,1-2H3/b11-9-
InChIKeyJUZSUTQATHNDSE-LUAWRHEFSA-N
MW280.37 g/mol
LogP3.60
Rot. Bonds3

About 2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine

2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine (PubChem CID 10446399) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine
PubChem CID10446399
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine
SMILESCOc1ccc2ccccc2c1/C=C\C1=NCCCN1C
InChIInChI=1S/C18H20N2O/c1-20-13-5-12-19-18(20)11-9-16-15-7-4-3-6-14(15)8-10-17(16)21-2/h3-4,6-11H,5,12-13H2,1-2H3/b11-9-
InChIKeyJUZSUTQATHNDSE-LUAWRHEFSA-N
XLogP3.60
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine (CID 10446399) is 2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine is COc1ccc2ccccc2c1/C=C\C1=NCCCN1C.
What is the InChIKey of 2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is JUZSUTQATHNDSE-LUAWRHEFSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20-13-5-12-19-18(20)11-9-16-15-7-4-3-6-14(15)8-10-17(16)21-2/h3-4,6-11H,5,12-13H2,1-2H3/b11-9-.
What are the key properties of 2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine?
2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 280.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 10446399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).