4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine

C14H15BrClFN4 — CID 107617678

IUPAC4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine
SMILESCC(C)(C)c1nc(N)cc(Nc2c(Cl)cc(F)cc2Br)n1
InChIInChI=1S/C14H15BrClFN4/c1-14(2,3)13-19-10(18)6-11(21-13)20-12-8(15)4-7(17)5-9(12)16/h4-6H,1-3H3,(H3,18,19,20,21)
InChIKeyHCTDSBZOIVEJGK-UHFFFAOYSA-N
MW373.66 g/mol
LogP4.65
Rot. Bonds2

About 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine

4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine (PubChem CID 107617678) has the molecular formula C14H15BrClFN4 and a molecular weight of 373.66 g/mol. Its IUPAC name is 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine
PubChem CID107617678
Molecular FormulaC14H15BrClFN4
Molecular Weight373.66 g/mol
Exact Mass372.02
IUPAC Name4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine
SMILESCC(C)(C)c1nc(N)cc(Nc2c(Cl)cc(F)cc2Br)n1
InChIInChI=1S/C14H15BrClFN4/c1-14(2,3)13-19-10(18)6-11(21-13)20-12-8(15)4-7(17)5-9(12)16/h4-6H,1-3H3,(H3,18,19,20,21)
InChIKeyHCTDSBZOIVEJGK-UHFFFAOYSA-N
XLogP4.65
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.66
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-bromo-2,5-difluorophenyl)-2-tert-butylpyrimidine-4,6-diamine
CID 107608342
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine
CID 107614917
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
2-(2-bromo-6-chloro-4-fluoroanilino)-6-methylpyridine-4-carbothioamide
CID 107612296
2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine
CID 107638933
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107614936
2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid
CID 107613288
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
CID 107614938
N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 107614970
2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine
CID 107609082
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 107614902

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine (CID 107617678) is 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine is CC(C)(C)c1nc(N)cc(Nc2c(Cl)cc(F)cc2Br)n1.
What is the InChIKey of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine?
The InChIKey is HCTDSBZOIVEJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClFN4/c1-14(2,3)13-19-10(18)6-11(21-13)20-12-8(15)4-7(17)5-9(12)16/h4-6H,1-3H3,(H3,18,19,20,21).
What are the key properties of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine?
4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine has a molecular weight of 373.66 g/mol, XLogP of 4.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine is sourced from PubChem (CID 107617678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).