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

C14H14BrCl2N3 — CID 66295533

IUPAC5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2c(Cl)cccc2Cl)nc(C)c1Br
InChIInChI=1S/C14H14BrCl2N3/c1-3-7-18-14-12(15)8(2)19-13(20-14)11-9(16)5-4-6-10(11)17/h4-6H,3,7H2,1-2H3,(H,18,19,20)
InChIKeyMENUNSZWSSMDEH-UHFFFAOYSA-N
MW375.10 g/mol
LogP5.34
Rot. Bonds4

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

5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 66295533) has the molecular formula C14H14BrCl2N3 and a molecular weight of 375.10 g/mol. Its IUPAC name is 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID66295533
Molecular FormulaC14H14BrCl2N3
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC Name5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2c(Cl)cccc2Cl)nc(C)c1Br
InChIInChI=1S/C14H14BrCl2N3/c1-3-7-18-14-12(15)8(2)19-13(20-14)11-9(16)5-4-6-10(11)17/h4-6H,3,7H2,1-2H3,(H,18,19,20)
InChIKeyMENUNSZWSSMDEH-UHFFFAOYSA-N
XLogP5.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.10
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63480505
5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66304892
5-bromo-6-methyl-2-(6-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 66305685
2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 104818259
5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 81311702
5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66296687
5-bromo-2-(4-chloro-2-methoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106819708
5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106849549
5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 79971925
5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66304687
2-(2,6-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 55220126
2-(3-chloro-2-fluorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 114488677

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine (CID 66295533) is 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2c(Cl)cccc2Cl)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is MENUNSZWSSMDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2N3/c1-3-7-18-14-12(15)8(2)19-13(20-14)11-9(16)5-4-6-10(11)17/h4-6H,3,7H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine?
5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 375.10 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66295533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).