2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine

C13H15FN4 — CID 80817458

IUPAC2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)c2ccccc2F)n1
InChIInChI=1S/C13H15FN4/c1-3-15-13-16-9-8-12(17-13)18(2)11-7-5-4-6-10(11)14/h4-9H,3H2,1-2H3,(H,15,16,17)
InChIKeyUEHQKSGZGANNNP-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.82
Rot. Bonds4

About 2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine

2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80817458) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID80817458
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)c2ccccc2F)n1
InChIInChI=1S/C13H15FN4/c1-3-15-13-16-9-8-12(17-13)18(2)11-7-5-4-6-10(11)14/h4-9H,3H2,1-2H3,(H,15,16,17)
InChIKeyUEHQKSGZGANNNP-UHFFFAOYSA-N
XLogP2.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
2-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112894601
2-N-ethyl-4-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80846765
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794813
2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80792942
4-N-[(2-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794160
3-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile
CID 80824345
4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 62292871
2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 80783451
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557123
2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817690
4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80817609

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine (CID 80817458) is 2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine is CCNc1nccc(N(C)c2ccccc2F)n1.
What is the InChIKey of 2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is UEHQKSGZGANNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-3-15-13-16-9-8-12(17-13)18(2)11-7-5-4-6-10(11)14/h4-9H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine?
2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 246.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80817458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).