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

C15H18F2N4 — CID 80748963

IUPAC4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C15H18F2N4/c1-3-5-11-14(18-4-2)19-9-20-15(11)21-13-8-10(16)6-7-12(13)17/h6-9H,3-5H2,1-2H3,(H2,18,19,20,21)
InChIKeyFSEQYCAPWLFUBA-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.88
Rot. Bonds6

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

4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80748963) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
PubChem CID80748963
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C15H18F2N4/c1-3-5-11-14(18-4-2)19-9-20-15(11)21-13-8-10(16)6-7-12(13)17/h6-9H,3-5H2,1-2H3,(H2,18,19,20,21)
InChIKeyFSEQYCAPWLFUBA-UHFFFAOYSA-N
XLogP3.88
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80759222
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80773429
4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80779766
4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762346
5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
CID 82683530
6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768641
5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80751201
N-(2,5-difluorophenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584493
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80761579
4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80751666
4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 107604672
4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152457

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine (CID 80748963) is 4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1Nc1cc(F)ccc1F.
What is the InChIKey of 4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is FSEQYCAPWLFUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-3-5-11-14(18-4-2)19-9-20-15(11)21-13-8-10(16)6-7-12(13)17/h6-9H,3-5H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 292.33 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80748963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).