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

C15H19BrN4 — CID 112863835

IUPAC6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NC(C)(C)C)ncn2)c(Br)c1
InChIInChI=1S/C15H19BrN4/c1-10-5-6-12(11(16)7-10)19-13-8-14(18-9-17-13)20-15(2,3)4/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyJNJZYWQNMDYBSP-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.50
Rot. Bonds3

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

6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine (PubChem CID 112863835) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine
PubChem CID112863835
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NC(C)(C)C)ncn2)c(Br)c1
InChIInChI=1S/C15H19BrN4/c1-10-5-6-12(11(16)7-10)19-13-8-14(18-9-17-13)20-15(2,3)4/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyJNJZYWQNMDYBSP-UHFFFAOYSA-N
XLogP4.50
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80768500
4-N-tert-butyl-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112863804
4-N-(2-bromo-4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861137
4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112863787
4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112863783
6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
CID 112864264
6-N-(2-bromo-4-methylphenyl)-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 112862022
N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856489
4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112863770
4-N-(2-bromo-4-methylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80768591
6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80767793
4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112864909

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine (CID 112863835) is 6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine is Cc1ccc(Nc2cc(NC(C)(C)C)ncn2)c(Br)c1.
What is the InChIKey of 6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine?
The InChIKey is JNJZYWQNMDYBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-10-5-6-12(11(16)7-10)19-13-8-14(18-9-17-13)20-15(2,3)4/h5-9H,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine?
6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine has a molecular weight of 335.25 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine is sourced from PubChem (CID 112863835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).