N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine

C12H10BrClFN3O — CID 113400836

IUPACN-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(Cl)cc(Nc2cc(Br)ccc2F)n1
InChIInChI=1S/C12H10BrClFN3O/c1-19-6-12-17-10(14)5-11(18-12)16-9-4-7(13)2-3-8(9)15/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyXALQWYYFQKSPKW-UHFFFAOYSA-N
MW346.59 g/mol
LogP3.92
Rot. Bonds4

About N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine

N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 113400836) has the molecular formula C12H10BrClFN3O and a molecular weight of 346.59 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID113400836
Molecular FormulaC12H10BrClFN3O
Molecular Weight346.59 g/mol
Exact Mass344.97
IUPAC NameN-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(Cl)cc(Nc2cc(Br)ccc2F)n1
InChIInChI=1S/C12H10BrClFN3O/c1-19-6-12-17-10(14)5-11(18-12)16-9-4-7(13)2-3-8(9)15/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyXALQWYYFQKSPKW-UHFFFAOYSA-N
XLogP3.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80936781
N-(5-bromo-2-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62482336
6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 107530548
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
CID 107614938
6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 114677384
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 82463163
6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine
CID 62481306
6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
CID 82463145
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80943383
2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 114672189
N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859689

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine (CID 113400836) is N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(Cl)cc(Nc2cc(Br)ccc2F)n1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is XALQWYYFQKSPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3O/c1-19-6-12-17-10(14)5-11(18-12)16-9-4-7(13)2-3-8(9)15/h2-5H,6H2,1H3,(H,16,17,18).
What are the key properties of N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine?
N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 346.59 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 113400836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).