methyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

C19H20N2O3S — CID 4190745

IUPACmethyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(SC)=NC1c1c(OC)ccc2ccccc12
InChIInChI=1S/C19H20N2O3S/c1-11-15(18(22)24-3)17(21-19(20-11)25-4)16-13-8-6-5-7-12(13)9-10-14(16)23-2/h5-10,17H,1-4H3,(H,20,21)
InChIKeyVMOBGSOFIFCVFS-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.66
Rot. Bonds3

About methyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

methyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate (PubChem CID 4190745) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is methyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
PubChem CID4190745
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Namemethyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(SC)=NC1c1c(OC)ccc2ccccc12
InChIInChI=1S/C19H20N2O3S/c1-11-15(18(22)24-3)17(21-19(20-11)25-4)16-13-8-6-5-7-12(13)9-10-14(16)23-2/h5-10,17H,1-4H3,(H,20,21)
InChIKeyVMOBGSOFIFCVFS-UHFFFAOYSA-N
XLogP3.66
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate (CID 4190745) is methyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate is COC(=O)C1=C(C)NC(SC)=NC1c1c(OC)ccc2ccccc12.
What is the InChIKey of methyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate?
The InChIKey is VMOBGSOFIFCVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-11-15(18(22)24-3)17(21-19(20-11)25-4)16-13-8-6-5-7-12(13)9-10-14(16)23-2/h5-10,17H,1-4H3,(H,20,21).
What are the key properties of methyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate?
methyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate has a molecular weight of 356.45 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxynaphthalen-1-yl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 4190745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).