6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine

C14H14BrClFN3O — CID 106763638

IUPAC6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2ccc(Br)c(Cl)c2F)nc(COC)n1
InChIInChI=1S/C14H14BrClFN3O/c1-3-18-11-6-10(19-12(20-11)7-21-2)8-4-5-9(15)13(16)14(8)17/h4-6H,3,7H2,1-2H3,(H,18,19,20)
InChIKeyIMXTZHNVJCZQMJ-UHFFFAOYSA-N
MW374.64 g/mol
LogP4.28
Rot. Bonds5

About 6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine

6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 106763638) has the molecular formula C14H14BrClFN3O and a molecular weight of 374.64 g/mol. Its IUPAC name is 6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID106763638
Molecular FormulaC14H14BrClFN3O
Molecular Weight374.64 g/mol
Exact Mass373.00
IUPAC Name6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2ccc(Br)c(Cl)c2F)nc(COC)n1
InChIInChI=1S/C14H14BrClFN3O/c1-3-18-11-6-10(19-12(20-11)7-21-2)8-4-5-9(15)13(16)14(8)17/h4-6H,3,7H2,1-2H3,(H,18,19,20)
InChIKeyIMXTZHNVJCZQMJ-UHFFFAOYSA-N
XLogP4.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(3-bromo-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 106646789
N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine
CID 80939393
4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 106763667
N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133387523
2-(methoxymethyl)-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838411
4-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-5-methylpyrimidin-2-amine
CID 106763725
4-N-(4-bromo-2,3-dichlorophenyl)-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 107794910
4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine
CID 106763568
6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine
CID 80936764
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 82463163
6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 107514561
6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine
CID 113467592

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine (CID 106763638) is 6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine is CCNc1cc(-c2ccc(Br)c(Cl)c2F)nc(COC)n1.
What is the InChIKey of 6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is IMXTZHNVJCZQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClFN3O/c1-3-18-11-6-10(19-12(20-11)7-21-2)8-4-5-9(15)13(16)14(8)17/h4-6H,3,7H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine?
6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 374.64 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 106763638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).