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

C16H21FN4 — CID 80982049

IUPAC2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCCc2ccccc2F)n1
InChIInChI=1S/C16H21FN4/c1-4-14-20-15(18-3)11(2)16(21-14)19-10-9-12-7-5-6-8-13(12)17/h5-8H,4,9-10H2,1-3H3,(H2,18,19,20,21)
InChIKeyASCRFHJQLBNJID-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.18
Rot. Bonds6

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

2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80982049) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80982049
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCCc2ccccc2F)n1
InChIInChI=1S/C16H21FN4/c1-4-14-20-15(18-3)11(2)16(21-14)19-10-9-12-7-5-6-8-13(12)17/h5-8H,4,9-10H2,1-3H3,(H2,18,19,20,21)
InChIKeyASCRFHJQLBNJID-UHFFFAOYSA-N
XLogP3.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(2-fluorophenyl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80786040
4-N-[(2-fluorophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80980852
5-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80785119
2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80987116
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80975172
6-chloro-2-ethyl-N-[2-(2-fluorophenyl)ethyl]pyrimidin-4-amine
CID 80936245
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982081
2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80785003
2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine
CID 115523193
2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114957898
6-chloro-5-ethyl-N-[2-(2-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728917

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80982049) is 2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(NCCc2ccccc2F)n1.
What is the InChIKey of 2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is ASCRFHJQLBNJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-4-14-20-15(18-3)11(2)16(21-14)19-10-9-12-7-5-6-8-13(12)17/h5-8H,4,9-10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80982049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).