5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine

C14H14BrF2N3O — CID 66297909

IUPAC5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2ccccc2OC(F)F)nc(NC)c1Br
InChIInChI=1S/C14H14BrF2N3O/c1-3-9-11(15)13(18-2)20-12(19-9)8-6-4-5-7-10(8)21-14(16)17/h4-7,14H,3H2,1-2H3,(H,18,19,20)
InChIKeyNWMGPDKSZXQZGP-UHFFFAOYSA-N
MW358.19 g/mol
LogP4.11
Rot. Bonds5

About 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine

5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 66297909) has the molecular formula C14H14BrF2N3O and a molecular weight of 358.19 g/mol. Its IUPAC name is 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID66297909
Molecular FormulaC14H14BrF2N3O
Molecular Weight358.19 g/mol
Exact Mass357.03
IUPAC Name5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2ccccc2OC(F)F)nc(NC)c1Br
InChIInChI=1S/C14H14BrF2N3O/c1-3-9-11(15)13(18-2)20-12(19-9)8-6-4-5-7-10(8)21-14(16)17/h4-7,14H,3H2,1-2H3,(H,18,19,20)
InChIKeyNWMGPDKSZXQZGP-UHFFFAOYSA-N
XLogP4.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66295791
5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine
CID 66295361
2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 62203120
5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66301030
5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66295402
2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66297684
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66298851
5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66299061
[2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 62250939
5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine
CID 66297721
5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine
CID 66311864
6-ethyl-2-(2-ethylphenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66297157

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine (CID 66297909) is 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine is CCc1nc(-c2ccccc2OC(F)F)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is NWMGPDKSZXQZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3O/c1-3-9-11(15)13(18-2)20-12(19-9)8-6-4-5-7-10(8)21-14(16)17/h4-7,14H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine?
5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 358.19 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66297909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).