5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine

C15H16BrCl2N3 — CID 66296374

IUPAC5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Cl)c(Cl)c2)nc(CC)c1Br
InChIInChI=1S/C15H16BrCl2N3/c1-3-7-19-15-13(16)12(4-2)20-14(21-15)9-5-6-10(17)11(18)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,19,20,21)
InChIKeyYMZIDJSEBCAIQQ-UHFFFAOYSA-N
MW389.12 g/mol
LogP5.60
Rot. Bonds5

About 5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine

5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine (PubChem CID 66296374) has the molecular formula C15H16BrCl2N3 and a molecular weight of 389.12 g/mol. Its IUPAC name is 5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
PubChem CID66296374
Molecular FormulaC15H16BrCl2N3
Molecular Weight389.12 g/mol
Exact Mass386.99
IUPAC Name5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Cl)c(Cl)c2)nc(CC)c1Br
InChIInChI=1S/C15H16BrCl2N3/c1-3-7-19-15-13(16)12(4-2)20-14(21-15)9-5-6-10(17)11(18)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,19,20,21)
InChIKeyYMZIDJSEBCAIQQ-UHFFFAOYSA-N
XLogP5.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.12
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Metoprine
CID 24466
Etoprine
CID 29142
6-(2,3-Dichlorophenyl)-N4-methylpyrimidine-2,4-diamine
CID 73441664
N~4~-Cyclopropyl-6-(2,3-Dichlorophenyl)pyrimidine-2,4-Diamine
CID 73389731
5-[3-(3,4-Dichlorophenyl)propyl]-6-methyl-2,4-pyrimidinediamine
CID 1214927
(4-Chloro-benzyl)-(4,6-dimethyl-pyrimidin-2-yl)-amine
CID 2968165
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-methylpyrimidin-4-amine
CID 10149409
6-Methyl-5-(3,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 21689932
Sdccgsbi-0663041.P001
CID 44453652
5-(4-{[(3,4-Dichlorophenyl)methyl]amino}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 11280673
2-N-[(4-chlorophenyl)methyl]-4-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 145985128
4-N-butyl-6-[(2,3-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 145989679

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine (CID 66296374) is 5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(Cl)c(Cl)c2)nc(CC)c1Br.
What is the InChIKey of 5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is YMZIDJSEBCAIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrCl2N3/c1-3-7-19-15-13(16)12(4-2)20-14(21-15)9-5-6-10(17)11(18)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,19,20,21).
What are the key properties of 5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine?
5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 389.12 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66296374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).