4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine

C14H15Cl2FN4 — CID 83073328

IUPAC4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2c(Cl)cc(F)cc2Cl)nc(CC)n1
InChIInChI=1S/C14H15Cl2FN4/c1-3-11-19-12(18-4-2)7-13(20-11)21-14-9(15)5-8(17)6-10(14)16/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21)
InChIKeyNXTHJOQZYUGOFZ-UHFFFAOYSA-N
MW329.21 g/mol
LogP4.66
Rot. Bonds5

About 4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine

4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine (PubChem CID 83073328) has the molecular formula C14H15Cl2FN4 and a molecular weight of 329.21 g/mol. Its IUPAC name is 4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
PubChem CID83073328
Molecular FormulaC14H15Cl2FN4
Molecular Weight329.21 g/mol
Exact Mass328.07
IUPAC Name4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2c(Cl)cc(F)cc2Cl)nc(CC)n1
InChIInChI=1S/C14H15Cl2FN4/c1-3-11-19-12(18-4-2)7-13(20-11)21-14-9(15)5-8(17)6-10(14)16/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21)
InChIKeyNXTHJOQZYUGOFZ-UHFFFAOYSA-N
XLogP4.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
4-N-(2,5-dichlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933323
4-N-(2-bromo-6-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107604632
4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939052
6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80933584
6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine
CID 80855579
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 107617682
4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934313
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107614936

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine (CID 83073328) is 4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine is CCNc1cc(Nc2c(Cl)cc(F)cc2Cl)nc(CC)n1.
What is the InChIKey of 4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The InChIKey is NXTHJOQZYUGOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2FN4/c1-3-11-19-12(18-4-2)7-13(20-11)21-14-9(15)5-8(17)6-10(14)16/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine has a molecular weight of 329.21 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 83073328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).