5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine

C15H19FN4 — CID 80785119

IUPAC5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCCc1ccccc1F
InChIInChI=1S/C15H19FN4/c1-3-12-14(17-2)19-10-20-15(12)18-9-8-11-6-4-5-7-13(11)16/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyLNMXWCXCRNFJDE-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.87
Rot. Bonds6

About 5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine

5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80785119) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID80785119
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCCc1ccccc1F
InChIInChI=1S/C15H19FN4/c1-3-12-14(17-2)19-10-20-15(12)18-9-8-11-6-4-5-7-13(11)16/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyLNMXWCXCRNFJDE-UHFFFAOYSA-N
XLogP2.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-ethyl-N-[2-(2-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728917
2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982049
4-N-[2-(2-fluorophenyl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80786040
4-N-[2-(2-fluorophenyl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80785118
4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80798019
N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 43087172
7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
CID 91647410
2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80785003
6-N-methyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80766055
4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861294
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106262696

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine (CID 80785119) is 5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1NCCc1ccccc1F.
What is the InChIKey of 5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is LNMXWCXCRNFJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-3-12-14(17-2)19-10-20-15(12)18-9-8-11-6-4-5-7-13(11)16/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine?
5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80785119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).