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

C15H18BrFN4 — CID 107604672

IUPAC4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1Nc1c(F)cccc1Br
InChIInChI=1S/C15H18BrFN4/c1-3-6-10-14(18-4-2)19-9-20-15(10)21-13-11(16)7-5-8-12(13)17/h5,7-9H,3-4,6H2,1-2H3,(H2,18,19,20,21)
InChIKeyHLVAJWPYFXEXNI-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.51
Rot. Bonds6

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

4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine (PubChem CID 107604672) has the molecular formula C15H18BrFN4 and a molecular weight of 353.24 g/mol. Its IUPAC name is 4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
PubChem CID107604672
Molecular FormulaC15H18BrFN4
Molecular Weight353.24 g/mol
Exact Mass352.07
IUPAC Name4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1Nc1c(F)cccc1Br
InChIInChI=1S/C15H18BrFN4/c1-3-6-10-14(18-4-2)19-9-20-15(10)21-13-11(16)7-5-8-12(13)17/h5,7-9H,3-4,6H2,1-2H3,(H2,18,19,20,21)
InChIKeyHLVAJWPYFXEXNI-UHFFFAOYSA-N
XLogP4.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80829581
4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80748963
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80773429
4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 82803367
4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80751666
4-N-(2,3-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80797806
N-(2-bromo-6-fluorophenyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 107602353
4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295
6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine
CID 80763596
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
CID 80890169
4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80737993
6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 106646886

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine (CID 107604672) is 4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1Nc1c(F)cccc1Br.
What is the InChIKey of 4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is HLVAJWPYFXEXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN4/c1-3-6-10-14(18-4-2)19-9-20-15(10)21-13-11(16)7-5-8-12(13)17/h5,7-9H,3-4,6H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 353.24 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 107604672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).