[6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate

C18H23N3O2 — CID 551931

IUPAC[6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCCCc1c(C)nc(-c2ccc(C)cc2)nc1OC(=O)N(C)C
InChIInChI=1S/C18H23N3O2/c1-6-7-15-13(3)19-16(14-10-8-12(2)9-11-14)20-17(15)23-18(22)21(4)5/h8-11H,6-7H2,1-5H3
InChIKeyLJYWDVQORAYADW-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.77
Rot. Bonds4

About [6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate

[6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate (PubChem CID 551931) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate
PubChem CID551931
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCCCc1c(C)nc(-c2ccc(C)cc2)nc1OC(=O)N(C)C
InChIInChI=1S/C18H23N3O2/c1-6-7-15-13(3)19-16(14-10-8-12(2)9-11-14)20-17(15)23-18(22)21(4)5/h8-11H,6-7H2,1-5H3
InChIKeyLJYWDVQORAYADW-UHFFFAOYSA-N
XLogP3.77
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate?
The IUPAC name of [6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate (CID 551931) is [6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate?
The canonical SMILES for [6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate is CCCc1c(C)nc(-c2ccc(C)cc2)nc1OC(=O)N(C)C.
What is the InChIKey of [6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate?
The InChIKey is LJYWDVQORAYADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-6-7-15-13(3)19-16(14-10-8-12(2)9-11-14)20-17(15)23-18(22)21(4)5/h8-11H,6-7H2,1-5H3.
What are the key properties of [6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate?
[6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate has a molecular weight of 313.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(4-methylphenyl)-5-propylpyrimidin-4-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 551931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).