4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine

C15H19BrN4 — CID 112924833

IUPAC4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2Br)nc(NC(C)(C)C)n1
InChIInChI=1S/C15H19BrN4/c1-10-9-13(18-12-8-6-5-7-11(12)16)19-14(17-10)20-15(2,3)4/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyMIDFZXZBKIILIX-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.50
Rot. Bonds3

About 4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine

4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine (PubChem CID 112924833) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine
PubChem CID112924833
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2Br)nc(NC(C)(C)C)n1
InChIInChI=1S/C15H19BrN4/c1-10-9-13(18-12-8-6-5-7-11(12)16)19-14(17-10)20-15(2,3)4/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyMIDFZXZBKIILIX-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

2-N-tert-butyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924784
2-N-tert-butyl-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924802
2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928595
4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930517
2-N-tert-butyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112924762
N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
CID 109332691
4-N-(2-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929774
2-N-(2-bromophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931941
2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925222
4-N-tert-butyl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924663
2-N-tert-butyl-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112924811
2-N-tert-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112924847

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine (CID 112924833) is 4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2Br)nc(NC(C)(C)C)n1.
What is the InChIKey of 4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is MIDFZXZBKIILIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-10-9-13(18-12-8-6-5-7-11(12)16)19-14(17-10)20-15(2,3)4/h5-9H,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine?
4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-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 4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112924833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).