4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

C15H18BrClN4 — CID 80992031

IUPAC4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(Nc2ccc(Cl)c(Br)c2)c1C
InChIInChI=1S/C15H18BrClN4/c1-8(2)13-20-14(18-4)9(3)15(21-13)19-10-5-6-12(17)11(16)7-10/h5-8H,1-4H3,(H2,18,19,20,21)
InChIKeyPGSWJQJUGISMPC-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.11
Rot. Bonds4

About 4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80992031) has the molecular formula C15H18BrClN4 and a molecular weight of 369.69 g/mol. Its IUPAC name is 4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80992031
Molecular FormulaC15H18BrClN4
Molecular Weight369.69 g/mol
Exact Mass368.04
IUPAC Name4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(Nc2ccc(Cl)c(Br)c2)c1C
InChIInChI=1S/C15H18BrClN4/c1-8(2)13-20-14(18-4)9(3)15(21-13)19-10-5-6-12(17)11(16)7-10/h5-8H,1-4H3,(H2,18,19,20,21)
InChIKeyPGSWJQJUGISMPC-UHFFFAOYSA-N
XLogP5.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-bromo-4-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992119
4-N-(4-bromo-3-chlorophenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 107617897
4-N-(3-bromo-5-methylphenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 107580985
4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976810
4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 107617789
4-N-(3-bromo-4-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80838341
6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972758
4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982672
N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 82766249
4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976899
2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 113337298
4-N-(3-bromo-4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114262788

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80992031) is 4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is CNc1nc(C(C)C)nc(Nc2ccc(Cl)c(Br)c2)c1C.
What is the InChIKey of 4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is PGSWJQJUGISMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN4/c1-8(2)13-20-14(18-4)9(3)15(21-13)19-10-5-6-12(17)11(16)7-10/h5-8H,1-4H3,(H2,18,19,20,21).
What are the key properties of 4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 369.69 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-chlorophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80992031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).