6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine

C13H11BrCl2FN3 — CID 107576901

IUPAC6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Br)cc(Nc2cc(Cl)c(F)c(Cl)c2)n1
InChIInChI=1S/C13H11BrCl2FN3/c1-2-3-11-19-10(14)6-12(20-11)18-7-4-8(15)13(17)9(16)5-7/h4-6H,2-3H2,1H3,(H,18,19,20)
InChIKeyCHMIIZKDPYUJEP-UHFFFAOYSA-N
MW379.06 g/mol
LogP5.38
Rot. Bonds4

About 6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine

6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine (PubChem CID 107576901) has the molecular formula C13H11BrCl2FN3 and a molecular weight of 379.06 g/mol. Its IUPAC name is 6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine
PubChem CID107576901
Molecular FormulaC13H11BrCl2FN3
Molecular Weight379.06 g/mol
Exact Mass376.95
IUPAC Name6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Br)cc(Nc2cc(Cl)c(F)c(Cl)c2)n1
InChIInChI=1S/C13H11BrCl2FN3/c1-2-3-11-19-10(14)6-12(20-11)18-7-4-8(15)13(17)9(16)5-7/h4-6H,2-3H2,1H3,(H,18,19,20)
InChIKeyCHMIIZKDPYUJEP-UHFFFAOYSA-N
XLogP5.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.06
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-propyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954909
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107614936
N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 83073478
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine
CID 107614917
4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine
CID 105395993
6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine
CID 80939171
N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107602346
3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352656
4-N-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 107580802
4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80939644
6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine
CID 80938749
4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 103481880

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine (CID 107576901) is 6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine is CCCc1nc(Br)cc(Nc2cc(Cl)c(F)c(Cl)c2)n1.
What is the InChIKey of 6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine?
The InChIKey is CHMIIZKDPYUJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2FN3/c1-2-3-11-19-10(14)6-12(20-11)18-7-4-8(15)13(17)9(16)5-7/h4-6H,2-3H2,1H3,(H,18,19,20).
What are the key properties of 6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine?
6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine has a molecular weight of 379.06 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 107576901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).