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

C15H18BrClN4 — CID 80984109

IUPAC4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1Nc1cc(Br)ccc1Cl
InChIInChI=1S/C15H18BrClN4/c1-8-12(18)20-14(15(2,3)4)21-13(8)19-11-7-9(16)5-6-10(11)17/h5-7H,1-4H3,(H3,18,19,20,21)
InChIKeyIWDRKEBDXSHEAK-UHFFFAOYSA-N
MW369.69 g/mol
LogP4.82
Rot. Bonds2

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

4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80984109) has the molecular formula C15H18BrClN4 and a molecular weight of 369.69 g/mol. Its IUPAC name is 4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
PubChem CID80984109
Molecular FormulaC15H18BrClN4
Molecular Weight369.69 g/mol
Exact Mass368.04
IUPAC Name4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1Nc1cc(Br)ccc1Cl
InChIInChI=1S/C15H18BrClN4/c1-8-12(18)20-14(15(2,3)4)21-13(8)19-11-7-9(16)5-6-10(11)17/h5-7H,1-4H3,(H3,18,19,20,21)
InChIKeyIWDRKEBDXSHEAK-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-(4-bromo-2-methylphenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80976178
4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 81256059
2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80980689
2-tert-butyl-4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80976688
4-N-(4-bromo-2-chlorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80994019
4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80806935
N-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 80973472
2-tert-butyl-4-N-(3,4-difluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80976920
2-tert-butyl-4-N-[(3-chlorophenyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80985280
6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine
CID 102758019
4-N-(5-bromo-2-methylphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994250

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine (CID 80984109) is 4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)(C)C)nc1Nc1cc(Br)ccc1Cl.
What is the InChIKey of 4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is IWDRKEBDXSHEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN4/c1-8-12(18)20-14(15(2,3)4)21-13(8)19-11-7-9(16)5-6-10(11)17/h5-7H,1-4H3,(H3,18,19,20,21).
What are the key properties of 4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine?
4-N-(5-bromo-2-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-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80984109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).