6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine

C14H17FN4 — CID 80933584

IUPAC6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccccc2F)nc(CC)n1
InChIInChI=1S/C14H17FN4/c1-3-12-18-13(16-4-2)9-14(19-12)17-11-8-6-5-7-10(11)15/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyWROOBFXXQVSNSF-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.35
Rot. Bonds5

About 6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine

6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine (PubChem CID 80933584) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
PubChem CID80933584
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccccc2F)nc(CC)n1
InChIInChI=1S/C14H17FN4/c1-3-12-18-13(16-4-2)9-14(19-12)17-11-8-6-5-7-10(11)15/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyWROOBFXXQVSNSF-UHFFFAOYSA-N
XLogP3.35
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939464
4-N-(2-bromo-6-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107604632
4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107608393
4-N-(2,5-dichlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933323
6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940133
4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80797550
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940121
6-N,2-diethyl-4-N-(3-fluoro-4-methylphenyl)pyrimidine-4,6-diamine
CID 80933754
4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80941489
4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 81272137

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine (CID 80933584) is 6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine is CCNc1cc(Nc2ccccc2F)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is WROOBFXXQVSNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-3-12-18-13(16-4-2)9-14(19-12)17-11-8-6-5-7-10(11)15/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 260.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80933584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).