2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine

C16H20BrN3 — CID 105410378

IUPAC2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C16H20BrN3/c1-10-6-7-11(8-12(10)17)15-19-13(16(2,3)4)9-14(18-5)20-15/h6-9H,1-5H3,(H,18,19,20)
InChIKeyATSLPEINGCRXAG-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.55
Rot. Bonds2

About 2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine

2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine (PubChem CID 105410378) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
PubChem CID105410378
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C16H20BrN3/c1-10-6-7-11(8-12(10)17)15-19-13(16(2,3)4)9-14(18-5)20-15/h6-9H,1-5H3,(H,18,19,20)
InChIKeyATSLPEINGCRXAG-UHFFFAOYSA-N
XLogP4.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 55193463
6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 62203294
2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 66424292
5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 105410427
6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
CID 62202771
6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 55045442
6-tert-butyl-2-(2,6-dichlorophenyl)-N-methylpyrimidin-4-amine
CID 63480830
[6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62251106
[6-tert-butyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-yl]hydrazine
CID 113457290
2-(3-bromo-4-methylphenyl)-4-tert-butyl-1H-pyrimidin-6-one
CID 136701857
2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327
2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 105408003

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine (CID 105410378) is 2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(-c2ccc(C)c(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine?
The InChIKey is ATSLPEINGCRXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-10-6-7-11(8-12(10)17)15-19-13(16(2,3)4)9-14(18-5)20-15/h6-9H,1-5H3,(H,18,19,20).
What are the key properties of 2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine?
2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine has a molecular weight of 334.26 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 105410378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).