4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine

C13H14BrClN4 — CID 80772955

IUPAC4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H14BrClN4/c1-2-3-9-12(16)17-7-18-13(9)19-11-5-4-8(14)6-10(11)15/h4-7H,2-3H2,1H3,(H3,16,17,18,19)
InChIKeyFGIUCEBNRJHDPF-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.17
Rot. Bonds4

About 4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine

4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80772955) has the molecular formula C13H14BrClN4 and a molecular weight of 341.64 g/mol. Its IUPAC name is 4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
PubChem CID80772955
Molecular FormulaC13H14BrClN4
Molecular Weight341.64 g/mol
Exact Mass340.01
IUPAC Name4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H14BrClN4/c1-2-3-9-12(16)17-7-18-13(9)19-11-5-4-8(14)6-10(11)15/h4-7H,2-3H2,1H3,(H3,16,17,18,19)
InChIKeyFGIUCEBNRJHDPF-UHFFFAOYSA-N
XLogP4.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768499
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953
4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295
N-(5-bromo-2-iodophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 114261134
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80736789
6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
CID 107607437
4-N-(5-bromo-2-iodophenyl)-5-ethylpyrimidine-4,6-diamine
CID 114261736
N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55230638
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80902077
N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80927802
3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine
CID 102985399

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine (CID 80772955) is 4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1Nc1ccc(Br)cc1Cl.
What is the InChIKey of 4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is FGIUCEBNRJHDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4/c1-2-3-9-12(16)17-7-18-13(9)19-11-5-4-8(14)6-10(11)15/h4-7H,2-3H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine?
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 341.64 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80772955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).