5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine

C15H16BrF2N3 — CID 66304625

IUPAC5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(F)c(F)c2)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H16BrF2N3/c1-15(2,3)12-11(16)14(19-4)21-13(20-12)8-5-6-9(17)10(18)7-8/h5-7H,1-4H3,(H,19,20,21)
InChIKeyLJNSFBOQEZSFHX-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.52
Rot. Bonds2

About 5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine

5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine (PubChem CID 66304625) has the molecular formula C15H16BrF2N3 and a molecular weight of 356.21 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine
PubChem CID66304625
Molecular FormulaC15H16BrF2N3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC Name5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(F)c(F)c2)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H16BrF2N3/c1-15(2,3)12-11(16)14(19-4)21-13(20-12)8-5-6-9(17)10(18)7-8/h5-7H,1-4H3,(H,19,20,21)
InChIKeyLJNSFBOQEZSFHX-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-tert-butyl-2-(4-chloro-3-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66297317
5-bromo-2-(4-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 66306418
5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66305215
5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine
CID 66304825
2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66304716
5-bromo-6-tert-butyl-2-(4-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 81274493
5-bromo-2-(4-bromo-3-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 81440655
5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 82801275
2-(3-bromophenyl)-6-tert-butyl-5-iodo-N-methylpyrimidin-4-amine
CID 66298821
5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine
CID 66305015
5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806787
5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine
CID 66304664

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine (CID 66304625) is 5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine is CNc1nc(-c2ccc(F)c(F)c2)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine?
The InChIKey is LJNSFBOQEZSFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2N3/c1-15(2,3)12-11(16)14(19-4)21-13(20-12)8-5-6-9(17)10(18)7-8/h5-7H,1-4H3,(H,19,20,21).
What are the key properties of 5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine has a molecular weight of 356.21 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66304625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).