N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine

C14H14BrClFN3 — CID 80948291

IUPACN-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C14H14BrClFN3/c1-14(2,3)13-19-11(16)7-12(20-13)18-10-5-4-8(15)6-9(10)17/h4-7H,1-3H3,(H,18,19,20)
InChIKeyFZXBDRJSFRODPP-UHFFFAOYSA-N
MW358.64 g/mol
LogP5.07
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine

N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine (PubChem CID 80948291) has the molecular formula C14H14BrClFN3 and a molecular weight of 358.64 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
PubChem CID80948291
Molecular FormulaC14H14BrClFN3
Molecular Weight358.64 g/mol
Exact Mass357.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C14H14BrClFN3/c1-14(2,3)13-19-11(16)7-12(20-13)18-10-5-4-8(15)6-9(10)17/h4-7H,1-3H3,(H,18,19,20)
InChIKeyFZXBDRJSFRODPP-UHFFFAOYSA-N
XLogP5.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 80948283
6-chloro-N-(2-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766917
N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767723
N-(5-bromo-2-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62482336
2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine
CID 80948773
2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine
CID 80951235
4-(4-bromo-2-fluorophenoxy)-2-tert-butyl-6-chloropyrimidine
CID 80948172
N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 80951056
N-(4-bromo-2-fluorophenyl)-5-chloropyridin-2-amine
CID 66218088
2-tert-butyl-4-N-(5-chloro-2-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80960482
N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80936781
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 107593354

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine (CID 80948291) is N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine is CC(C)(C)c1nc(Cl)cc(Nc2ccc(Br)cc2F)n1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine?
The InChIKey is FZXBDRJSFRODPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClFN3/c1-14(2,3)13-19-11(16)7-12(20-13)18-10-5-4-8(15)6-9(10)17/h4-7H,1-3H3,(H,18,19,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine?
N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine has a molecular weight of 358.64 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine is sourced from PubChem (CID 80948291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).