[2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate

C14H13ClFN3O2 — CID 2730166

IUPAC[2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H13ClFN3O2/c1-8-6-12(21-14(20)19(2)3)18-13(17-8)9-4-5-11(16)10(15)7-9/h4-7H,1-3H3
InChIKeyBMUXUAABUUGWFO-UHFFFAOYSA-N
MW309.73 g/mol
LogP3.30
Rot. Bonds2

About [2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate

[2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate (PubChem CID 2730166) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate
PubChem CID2730166
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC Name[2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H13ClFN3O2/c1-8-6-12(21-14(20)19(2)3)18-13(17-8)9-4-5-11(16)10(15)7-9/h4-7H,1-3H3
InChIKeyBMUXUAABUUGWFO-UHFFFAOYSA-N
XLogP3.30
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate (CID 2730166) is [2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate is Cc1cc(OC(=O)N(C)C)nc(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate?
The InChIKey is BMUXUAABUUGWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c1-8-6-12(21-14(20)19(2)3)18-13(17-8)9-4-5-11(16)10(15)7-9/h4-7H,1-3H3.
What are the key properties of [2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate?
[2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate has a molecular weight of 309.73 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 2730166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).