4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine

C15H18BrClN4 — CID 104725572

IUPAC4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(Nc2cc(Cl)c(C)cc2Br)n1
InChIInChI=1S/C15H18BrClN4/c1-4-5-13-20-14(18-3)8-15(21-13)19-12-7-11(17)9(2)6-10(12)16/h6-8H,4-5H2,1-3H3,(H2,18,19,20,21)
InChIKeyVJYBNBCHTJOPTI-UHFFFAOYSA-N
MW369.69 g/mol
LogP4.94
Rot. Bonds5

About 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine

4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 104725572) has the molecular formula C15H18BrClN4 and a molecular weight of 369.69 g/mol. Its IUPAC name is 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID104725572
Molecular FormulaC15H18BrClN4
Molecular Weight369.69 g/mol
Exact Mass368.04
IUPAC Name4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(Nc2cc(Cl)c(C)cc2Br)n1
InChIInChI=1S/C15H18BrClN4/c1-4-5-13-20-14(18-3)8-15(21-13)19-12-7-11(17)9(2)6-10(12)16/h6-8H,4-5H2,1-3H3,(H2,18,19,20,21)
InChIKeyVJYBNBCHTJOPTI-UHFFFAOYSA-N
XLogP4.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 104725543
4-N-(2-bromo-5-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 82758688
6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 104725517
4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945819
4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80944386
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 81272386
2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine
CID 104725516
6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80945398
4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80939644
4-bromo-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]benzonitrile
CID 107801750
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80940244

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine (CID 104725572) is 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)cc(Nc2cc(Cl)c(C)cc2Br)n1.
What is the InChIKey of 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is VJYBNBCHTJOPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN4/c1-4-5-13-20-14(18-3)8-15(21-13)19-12-7-11(17)9(2)6-10(12)16/h6-8H,4-5H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 369.69 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 104725572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).