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

C15H17BrClN3 — CID 107637054

IUPAC6-bromo-2-tert-butyl-N-(2-chloro-5-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(Cl)c(Nc2cc(Br)nc(C(C)(C)C)n2)c1
InChIInChI=1S/C15H17BrClN3/c1-9-5-6-10(17)11(7-9)18-13-8-12(16)19-14(20-13)15(2,3)4/h5-8H,1-4H3,(H,18,19,20)
InChIKeyDTIXNODCEGNPQN-UHFFFAOYSA-N
MW354.68 g/mol
LogP5.24
Rot. Bonds2

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

6-bromo-2-tert-butyl-N-(2-chloro-5-methylphenyl)pyrimidin-4-amine (PubChem CID 107637054) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is 6-bromo-2-tert-butyl-N-(2-chloro-5-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-tert-butyl-N-(2-chloro-5-methylphenyl)pyrimidin-4-amine
PubChem CID107637054
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC Name6-bromo-2-tert-butyl-N-(2-chloro-5-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(Cl)c(Nc2cc(Br)nc(C(C)(C)C)n2)c1
InChIInChI=1S/C15H17BrClN3/c1-9-5-6-10(17)11(7-9)18-13-8-12(16)19-14(20-13)15(2,3)4/h5-8H,1-4H3,(H,18,19,20)
InChIKeyDTIXNODCEGNPQN-UHFFFAOYSA-N
XLogP5.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine
CID 107638933
3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80947200
5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine
CID 107638028
4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 107638886
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80984109
4-N-(2-chloro-5-methylphenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 107638862
N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 80948291
4-N-(2-chloro-5-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638868
2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine
CID 80948773
N-(5-bromo-2-chlorophenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767723
2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 80948283

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-tert-butyl-N-(2-chloro-5-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-tert-butyl-N-(2-chloro-5-methylphenyl)pyrimidin-4-amine (CID 107637054) is 6-bromo-2-tert-butyl-N-(2-chloro-5-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-tert-butyl-N-(2-chloro-5-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-tert-butyl-N-(2-chloro-5-methylphenyl)pyrimidin-4-amine is Cc1ccc(Cl)c(Nc2cc(Br)nc(C(C)(C)C)n2)c1.
What is the InChIKey of 6-bromo-2-tert-butyl-N-(2-chloro-5-methylphenyl)pyrimidin-4-amine?
The InChIKey is DTIXNODCEGNPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c1-9-5-6-10(17)11(7-9)18-13-8-12(16)19-14(20-13)15(2,3)4/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of 6-bromo-2-tert-butyl-N-(2-chloro-5-methylphenyl)pyrimidin-4-amine?
6-bromo-2-tert-butyl-N-(2-chloro-5-methylphenyl)pyrimidin-4-amine has a molecular weight of 354.68 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-tert-butyl-N-(2-chloro-5-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 107637054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).