4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine

C13H14BrClN4O — CID 107618600

IUPAC4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1ncnc(Nc2ccc(Br)c(Cl)c2)c1N
InChIInChI=1S/C13H14BrClN4O/c1-2-5-20-13-11(16)12(17-7-18-13)19-8-3-4-9(14)10(15)6-8/h3-4,6-7H,2,5,16H2,1H3,(H,17,18,19)
InChIKeyNMCGZBYMIPJHRD-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.01
Rot. Bonds5

About 4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine

4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine (PubChem CID 107618600) has the molecular formula C13H14BrClN4O and a molecular weight of 357.64 g/mol. Its IUPAC name is 4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine
PubChem CID107618600
Molecular FormulaC13H14BrClN4O
Molecular Weight357.64 g/mol
Exact Mass356.00
IUPAC Name4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1ncnc(Nc2ccc(Br)c(Cl)c2)c1N
InChIInChI=1S/C13H14BrClN4O/c1-2-5-20-13-11(16)12(17-7-18-13)19-8-3-4-9(14)10(15)6-8/h3-4,6-7H,2,5,16H2,1H3,(H,17,18,19)
InChIKeyNMCGZBYMIPJHRD-UHFFFAOYSA-N
XLogP4.01
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,6-dichloro-4-fluorophenyl)-6-propoxypyrimidine-4,5-diamine
CID 83078014
4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine
CID 115376024
4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine
CID 81289753
4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 22546283
4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 131745853
N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 107617973
6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148280
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
methyl 3-amino-2-(4-bromo-3-chloroanilino)pyridine-4-carboxylate
CID 107615651
4-N-(4-butoxyphenyl)-6-(4-chloro-3,5-dimethylphenoxy)pyrimidine-4,5-diamine
CID 19143073
4-N-(3,4-dichlorophenyl)-6-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 22546817
4-N-(4-bromo-3-chlorophenyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 107617798

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine (CID 107618600) is 4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine is CCCOc1ncnc(Nc2ccc(Br)c(Cl)c2)c1N.
What is the InChIKey of 4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine?
The InChIKey is NMCGZBYMIPJHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4O/c1-2-5-20-13-11(16)12(17-7-18-13)19-8-3-4-9(14)10(15)6-8/h3-4,6-7H,2,5,16H2,1H3,(H,17,18,19).
What are the key properties of 4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine?
4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine has a molecular weight of 357.64 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 107618600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).