4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine

C14H16F2N4 — CID 80759222

IUPAC4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2cc(F)ccc2F)c1CC
InChIInChI=1S/C14H16F2N4/c1-3-10-13(17-4-2)18-8-19-14(10)20-12-7-9(15)5-6-11(12)16/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyCGFCQRYRZFBQKK-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.49
Rot. Bonds5

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

4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine (PubChem CID 80759222) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
PubChem CID80759222
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2cc(F)ccc2F)c1CC
InChIInChI=1S/C14H16F2N4/c1-3-10-13(17-4-2)18-8-19-14(10)20-12-7-9(15)5-6-11(12)16/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyCGFCQRYRZFBQKK-UHFFFAOYSA-N
XLogP3.49
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80751201
4-N-(2,3-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80797806
5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80854900
4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80761337
6-N,5-diethyl-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 107647171
6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine
CID 55228721
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-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152457
N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80920264

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine (CID 80759222) is 4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine is CCNc1ncnc(Nc2cc(F)ccc2F)c1CC.
What is the InChIKey of 4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine?
The InChIKey is CGFCQRYRZFBQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-3-10-13(17-4-2)18-8-19-14(10)20-12-7-9(15)5-6-11(12)16/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine?
4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine has a molecular weight of 278.31 g/mol, XLogP of 3.49, 5 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,5-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80759222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).