5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine

C12H10Br2F2N4 — CID 102855605

IUPAC5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(Nc2cc(Br)c(F)cc2F)n1
InChIInChI=1S/C12H10Br2F2N4/c1-2-17-12-18-5-7(14)11(20-12)19-10-3-6(13)8(15)4-9(10)16/h3-5H,2H2,1H3,(H2,17,18,19,20)
InChIKeyKGYKAVLKBKIUIR-UHFFFAOYSA-N
MW408.04 g/mol
LogP4.46
Rot. Bonds4

About 5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine

5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 102855605) has the molecular formula C12H10Br2F2N4 and a molecular weight of 408.04 g/mol. Its IUPAC name is 5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
PubChem CID102855605
Molecular FormulaC12H10Br2F2N4
Molecular Weight408.04 g/mol
Exact Mass405.92
IUPAC Name5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(Nc2cc(Br)c(F)cc2F)n1
InChIInChI=1S/C12H10Br2F2N4/c1-2-17-12-18-5-7(14)11(20-12)19-10-3-6(13)8(15)4-9(10)16/h3-5H,2H2,1H3,(H2,17,18,19,20)
InChIKeyKGYKAVLKBKIUIR-UHFFFAOYSA-N
XLogP4.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.04
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-N-(4-bromo-2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107608351
5-bromo-2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762209
5-bromo-2-N-ethyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759727
5-chloro-2-N-ethyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824592
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80788736
4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 103587790
5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80754775
2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 102855613
5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760864
4-N-(2-bromo-5-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 81271743
5-bromo-4-N-(2-tert-butylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80822328
4-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 107594445

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine (CID 102855605) is 5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine is CCNc1ncc(Br)c(Nc2cc(Br)c(F)cc2F)n1.
What is the InChIKey of 5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is KGYKAVLKBKIUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2F2N4/c1-2-17-12-18-5-7(14)11(20-12)19-10-3-6(13)8(15)4-9(10)16/h3-5H,2H2,1H3,(H2,17,18,19,20).
What are the key properties of 5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 408.04 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 102855605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).