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

C12H11BrFN3O — CID 107281410

IUPAC2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ccc(F)cc2Br)n1
InChIInChI=1S/C12H11BrFN3O/c1-18-6-8-5-11(15)17-12(16-8)9-3-2-7(14)4-10(9)13/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyAQQRLFXECZLZHD-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.77
Rot. Bonds3

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

2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 107281410) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID107281410
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ccc(F)cc2Br)n1
InChIInChI=1S/C12H11BrFN3O/c1-18-6-8-5-11(15)17-12(16-8)9-3-2-7(14)4-10(9)13/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyAQQRLFXECZLZHD-UHFFFAOYSA-N
XLogP2.77
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 55062587
2-(2-bromo-5-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66161513
2-(3-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 82800331
2-(2,4-dimethylphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62318956
2-(2,4-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62319145
4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine
CID 62944668
2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 113394016
6-(methoxymethyl)-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 62319679
2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 107922852
2-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62320412
6-(methoxymethyl)-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 63554209
2-(furan-2-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62320056

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine (CID 107281410) is 2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(N)nc(-c2ccc(F)cc2Br)n1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is AQQRLFXECZLZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-18-6-8-5-11(15)17-12(16-8)9-3-2-7(14)4-10(9)13/h2-5H,6H2,1H3,(H2,15,16,17).
What are the key properties of 2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine?
2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 312.14 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 107281410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).