4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine

C15H18BrClN4 — CID 81256059

IUPAC4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1Nc1ccc(Cl)cc1Br
InChIInChI=1S/C15H18BrClN4/c1-8-12(18)20-14(15(2,3)4)21-13(8)19-11-6-5-9(17)7-10(11)16/h5-7H,1-4H3,(H3,18,19,20,21)
InChIKeyPDFWRJUSNHTHDO-UHFFFAOYSA-N
MW369.69 g/mol
LogP4.82
Rot. Bonds2

About 4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine

4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine (PubChem CID 81256059) has the molecular formula C15H18BrClN4 and a molecular weight of 369.69 g/mol. Its IUPAC name is 4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
PubChem CID81256059
Molecular FormulaC15H18BrClN4
Molecular Weight369.69 g/mol
Exact Mass368.04
IUPAC Name4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1Nc1ccc(Cl)cc1Br
InChIInChI=1S/C15H18BrClN4/c1-8-12(18)20-14(15(2,3)4)21-13(8)19-11-6-5-9(17)7-10(11)16/h5-7H,1-4H3,(H3,18,19,20,21)
InChIKeyPDFWRJUSNHTHDO-UHFFFAOYSA-N
XLogP4.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-bromo-2-fluorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80986442
4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80984109
4-N-(4-bromo-2-methylphenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80976178
2-tert-butyl-4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80976688
4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 81271742
2-tert-butyl-4-N-(3,4-difluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80976920
2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80980689
2-N-(2-bromo-4-chlorophenyl)-6-methylpyridine-2,3-diamine
CID 81263123
2-tert-butyl-4-N-[(3-chlorophenyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80985280
N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81280388
2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine
CID 81262191
4-N-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763515

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine (CID 81256059) is 4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)(C)C)nc1Nc1ccc(Cl)cc1Br.
What is the InChIKey of 4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is PDFWRJUSNHTHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN4/c1-8-12(18)20-14(15(2,3)4)21-13(8)19-11-6-5-9(17)7-10(11)16/h5-7H,1-4H3,(H3,18,19,20,21).
What are the key properties of 4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine?
4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 369.69 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 81256059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).