2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate

C20H22N2O3 — CID 170921284

IUPAC2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=NC(=O)NC(c2cccc3ccccc23)C1C(=O)OCC(C)C
InChIInChI=1S/C20H22N2O3/c1-12(2)11-25-19(23)17-13(3)21-20(24)22-18(17)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,12,17-18H,11H2,1-3H3,(H,22,24)
InChIKeyRDZAVAYILXGSJW-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.88
Rot. Bonds4

About 2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate

2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 170921284) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID170921284
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=NC(=O)NC(c2cccc3ccccc23)C1C(=O)OCC(C)C
InChIInChI=1S/C20H22N2O3/c1-12(2)11-25-19(23)17-13(3)21-20(24)22-18(17)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,12,17-18H,11H2,1-3H3,(H,22,24)
InChIKeyRDZAVAYILXGSJW-UHFFFAOYSA-N
XLogP3.88
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of 2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 170921284) is 2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for 2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is CC1=NC(=O)NC(c2cccc3ccccc23)C1C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is RDZAVAYILXGSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-12(2)11-25-19(23)17-13(3)21-20(24)22-18(17)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,12,17-18H,11H2,1-3H3,(H,22,24).
What are the key properties of 2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 170921284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).