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

C12H9BrCl2FN3O — CID 107614938

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(Cl)cc(Nc2c(Cl)cc(F)cc2Br)n1
InChIInChI=1S/C12H9BrCl2FN3O/c1-20-5-11-17-9(15)4-10(18-11)19-12-7(13)2-6(16)3-8(12)14/h2-4H,5H2,1H3,(H,17,18,19)
InChIKeyNXCUTTRZEJHVOD-UHFFFAOYSA-N
MW381.03 g/mol
LogP4.57
Rot. Bonds4

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

N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 107614938) has the molecular formula C12H9BrCl2FN3O and a molecular weight of 381.03 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID107614938
Molecular FormulaC12H9BrCl2FN3O
Molecular Weight381.03 g/mol
Exact Mass378.93
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(Cl)cc(Nc2c(Cl)cc(F)cc2Br)n1
InChIInChI=1S/C12H9BrCl2FN3O/c1-20-5-11-17-9(15)4-10(18-11)19-12-7(13)2-6(16)3-8(12)14/h2-4H,5H2,1H3,(H,17,18,19)
InChIKeyNXCUTTRZEJHVOD-UHFFFAOYSA-N
XLogP4.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.03
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107614936
6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 107530548
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine
CID 107614917
N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
CID 113400836
2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid
CID 107613264
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 107617682
4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine
CID 107617678
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 82463163
2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid
CID 107613288
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80943383
4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107604540
N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 107614970

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine (CID 107614938) is N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(Cl)cc(Nc2c(Cl)cc(F)cc2Br)n1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is NXCUTTRZEJHVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2FN3O/c1-20-5-11-17-9(15)4-10(18-11)19-12-7(13)2-6(16)3-8(12)14/h2-4H,5H2,1H3,(H,17,18,19).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 381.03 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 107614938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).