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

C14H16BrClN4 — CID 80825088

IUPAC4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2cc(Br)ccc2Cl)c1C
InChIInChI=1S/C14H16BrClN4/c1-3-6-17-13-9(2)14(19-8-18-13)20-12-7-10(15)4-5-11(12)16/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyUJVOZCATCFQPLV-UHFFFAOYSA-N
MW355.67 g/mol
LogP4.77
Rot. Bonds5

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

4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80825088) has the molecular formula C14H16BrClN4 and a molecular weight of 355.67 g/mol. Its IUPAC name is 4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80825088
Molecular FormulaC14H16BrClN4
Molecular Weight355.67 g/mol
Exact Mass354.02
IUPAC Name4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2cc(Br)ccc2Cl)c1C
InChIInChI=1S/C14H16BrClN4/c1-3-6-17-13-9(2)14(19-8-18-13)20-12-7-10(15)4-5-11(12)16/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyUJVOZCATCFQPLV-UHFFFAOYSA-N
XLogP4.77
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.67
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80806935
4-N-(4-bromo-2-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80759265
4-N-(2-methoxy-5-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80736748
4-N-(5-bromo-2-methylphenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine
CID 80788732
N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55230638
6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 79742436
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80803504
4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80788913
4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80776616
N-(5-bromo-2-chlorophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 62909641
4-N-(5-bromo-2-chlorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80825284
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80825088) is 4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(Nc2cc(Br)ccc2Cl)c1C.
What is the InChIKey of 4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is UJVOZCATCFQPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN4/c1-3-6-17-13-9(2)14(19-8-18-13)20-12-7-10(15)4-5-11(12)16/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 355.67 g/mol, XLogP of 4.77, 5 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)-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80825088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).