5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine

C14H14BrClFN3 — CID 66306206

IUPAC5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2ccc(F)cc2Cl)nc(N)c1Br
InChIInChI=1S/C14H14BrClFN3/c1-14(2,3)11-10(15)12(18)20-13(19-11)8-5-4-7(17)6-9(8)16/h4-6H,1-3H3,(H2,18,19,20)
InChIKeyKSKVTNDUNIXBST-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.58
Rot. Bonds1

About 5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine

5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine (PubChem CID 66306206) has the molecular formula C14H14BrClFN3 and a molecular weight of 358.64 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
PubChem CID66306206
Molecular FormulaC14H14BrClFN3
Molecular Weight358.64 g/mol
Exact Mass357.00
IUPAC Name5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2ccc(F)cc2Cl)nc(N)c1Br
InChIInChI=1S/C14H14BrClFN3/c1-14(2,3)11-10(15)12(18)20-13(19-11)8-5-4-7(17)6-9(8)16/h4-6H,1-3H3,(H2,18,19,20)
InChIKeyKSKVTNDUNIXBST-UHFFFAOYSA-N
XLogP4.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine
CID 107924005
4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine
CID 62946502
5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 82801275
5-bromo-2-(4-bromo-3-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 81440655
[6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 62944421
2,4-dichloro-6-(2-chloro-4-fluorophenyl)-1,3,5-triazine
CID 115504981
5-bromo-6-tert-butyl-2-(4-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 81274493
2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 62944582
5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine
CID 66304612
5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine
CID 66292356
5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine
CID 66293992
2-bromo-5-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813740

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine (CID 66306206) is 5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine is CC(C)(C)c1nc(-c2ccc(F)cc2Cl)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine?
The InChIKey is KSKVTNDUNIXBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClFN3/c1-14(2,3)11-10(15)12(18)20-13(19-11)8-5-4-7(17)6-9(8)16/h4-6H,1-3H3,(H2,18,19,20).
What are the key properties of 5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine has a molecular weight of 358.64 g/mol, XLogP of 4.58, 1 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-(2-chloro-4-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 66306206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).