2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine

C13H18N2O — CID 45095290

IUPAC2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine
SMILESCCC1=NCCCN1c1cccc(OC)c1
InChIInChI=1S/C13H18N2O/c1-3-13-14-8-5-9-15(13)11-6-4-7-12(10-11)16-2/h4,6-7,10H,3,5,8-9H2,1-2H3
InChIKeyJDDUXNHVBXVRAS-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.71
Rot. Bonds3

About 2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine

2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine (PubChem CID 45095290) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine
PubChem CID45095290
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine
SMILESCCC1=NCCCN1c1cccc(OC)c1
InChIInChI=1S/C13H18N2O/c1-3-13-14-8-5-9-15(13)11-6-4-7-12(10-11)16-2/h4,6-7,10H,3,5,8-9H2,1-2H3
InChIKeyJDDUXNHVBXVRAS-UHFFFAOYSA-N
XLogP2.71
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine (CID 45095290) is 2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine is CCC1=NCCCN1c1cccc(OC)c1.
What is the InChIKey of 2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine?
The InChIKey is JDDUXNHVBXVRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-13-14-8-5-9-15(13)11-6-4-7-12(10-11)16-2/h4,6-7,10H,3,5,8-9H2,1-2H3.
What are the key properties of 2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine?
2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine has a molecular weight of 218.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 45095290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).