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

C15H18BrClN4 — CID 81256414

IUPAC4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccc(Cl)cc2Br)nc(CC)n1
InChIInChI=1S/C15H18BrClN4/c1-3-7-18-14-9-15(21-13(4-2)20-14)19-12-6-5-10(17)8-11(12)16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,18,19,20,21)
InChIKeyUVQCEZUWEKCEQD-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.02
Rot. Bonds6

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

4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 81256414) has the molecular formula C15H18BrClN4 and a molecular weight of 369.69 g/mol. Its IUPAC name is 4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID81256414
Molecular FormulaC15H18BrClN4
Molecular Weight369.69 g/mol
Exact Mass368.04
IUPAC Name4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccc(Cl)cc2Br)nc(CC)n1
InChIInChI=1S/C15H18BrClN4/c1-3-7-18-14-9-15(21-13(4-2)20-14)19-12-6-5-10(17)8-11(12)16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,18,19,20,21)
InChIKeyUVQCEZUWEKCEQD-UHFFFAOYSA-N
XLogP5.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 81256620
4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 81272137
4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939052
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 81272386
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
4-N-(2,5-dichlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933323
4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267
4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80755574
6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256281
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80943383
N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937232
4-N-(4-bromo-2-chlorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80772259

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine (CID 81256414) is 4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2ccc(Cl)cc2Br)nc(CC)n1.
What is the InChIKey of 4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is UVQCEZUWEKCEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN4/c1-3-7-18-14-9-15(21-13(4-2)20-14)19-12-6-5-10(17)8-11(12)16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 369.69 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 81256414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).