4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane

C19H32N2O2 — CID 143044780

IUPAC4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane
SMILESCC.CC.CCCOc1ccccc1C1=NC(C)C(C)C(=O)N1
InChIInChI=1S/C15H20N2O2.2C2H6/c1-4-9-19-13-8-6-5-7-12(13)14-16-11(3)10(2)15(18)17-14;2*1-2/h5-8,10-11H,4,9H2,1-3H3,(H,16,17,18);2*1-2H3
InChIKeyHKTWZCCXGHIGJQ-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.43
Rot. Bonds4

About 4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane

4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane (PubChem CID 143044780) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane
PubChem CID143044780
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane
SMILESCC.CC.CCCOc1ccccc1C1=NC(C)C(C)C(=O)N1
InChIInChI=1S/C15H20N2O2.2C2H6/c1-4-9-19-13-8-6-5-7-12(13)14-16-11(3)10(2)15(18)17-14;2*1-2/h5-8,10-11H,4,9H2,1-3H3,(H,16,17,18);2*1-2H3
InChIKeyHKTWZCCXGHIGJQ-UHFFFAOYSA-N
XLogP4.43
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane
CID 143044714
2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 143044715
5-fluoro-6-(2-propoxyphenyl)-1H-pyrimidin-2-one
CID 106521536
2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione
CID 106521583
5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736
2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770122
ethane;1-ethoxy-2-propoxybenzene;formic acid
CID 142473049
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
2-(2-propoxyphenyl)-3H-pteridin-4-one
CID 135670793
N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide
CID 135482146
(4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol
CID 124639865
2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770120

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane?
The IUPAC name of 4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane (CID 143044780) is 4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane.
What is the SMILES notation for 4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane?
The canonical SMILES for 4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane is CC.CC.CCCOc1ccccc1C1=NC(C)C(C)C(=O)N1.
What is the InChIKey of 4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane?
The InChIKey is HKTWZCCXGHIGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.2C2H6/c1-4-9-19-13-8-6-5-7-12(13)14-16-11(3)10(2)15(18)17-14;2*1-2/h5-8,10-11H,4,9H2,1-3H3,(H,16,17,18);2*1-2H3.
What are the key properties of 4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane?
4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane has a molecular weight of 320.48 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane is sourced from PubChem (CID 143044780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).