benzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C24H22N2O3 — CID 2794048

IUPACbenzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OCc2ccccc2)C(c2cccc3ccccc23)NC(=O)N1C
InChIInChI=1S/C24H22N2O3/c1-16-21(23(27)29-15-17-9-4-3-5-10-17)22(25-24(28)26(16)2)20-14-8-12-18-11-6-7-13-19(18)20/h3-14,22H,15H2,1-2H3,(H,25,28)
InChIKeyHBAISFKFHADPTG-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.55
Rot. Bonds4

About benzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

benzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 2794048) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is benzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID2794048
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Namebenzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OCc2ccccc2)C(c2cccc3ccccc23)NC(=O)N1C
InChIInChI=1S/C24H22N2O3/c1-16-21(23(27)29-15-17-9-4-3-5-10-17)22(25-24(28)26(16)2)20-14-8-12-18-11-6-7-13-19(18)20/h3-14,22H,15H2,1-2H3,(H,25,28)
InChIKeyHBAISFKFHADPTG-UHFFFAOYSA-N
XLogP4.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (6S)-6-(3-methoxy-2-phenylmethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1310544
benzyl 6-(furan-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 162677330
benzyl (6R)-3,4-dimethyl-2-oxo-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 1038416
cyclopentyl 3,4-dimethyl-2-oxo-6-(2-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate
CID 2864157
ethyl (6R)-6-(2-bromophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 9449390
benzyl 4,5-dimethyl-2-naphthalen-1-yl-5,7-diaza-1-azoniabicyclo[4.2.0]octa-1(6),3,7-triene-3-carboxylate
CID 91074031
ethyl 6-(2-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2864928
ethyl (6S)-3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 721516
2-phenylethyl (6S)-3,4-dimethyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1267946
benzyl (6R)-6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1104920
2-methoxyethyl (6R)-6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2166543
propyl (6S)-6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2260418

Frequently Asked Questions

What is the IUPAC name of benzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of benzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 2794048) is benzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for benzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for benzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is CC1=C(C(=O)OCc2ccccc2)C(c2cccc3ccccc23)NC(=O)N1C.
What is the InChIKey of benzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is HBAISFKFHADPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-21(23(27)29-15-17-9-4-3-5-10-17)22(25-24(28)26(16)2)20-14-8-12-18-11-6-7-13-19(18)20/h3-14,22H,15H2,1-2H3,(H,25,28).
What are the key properties of benzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
benzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 2794048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).