2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine

C15H19FN4 — CID 80817690

IUPAC2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(N(CC)c2ccccc2F)n1
InChIInChI=1S/C15H19FN4/c1-4-17-15-18-10-11(3)14(19-15)20(5-2)13-9-7-6-8-12(13)16/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyXOBQHNDJGWRZPC-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.51
Rot. Bonds5

About 2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine

2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine (PubChem CID 80817690) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
PubChem CID80817690
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(N(CC)c2ccccc2F)n1
InChIInChI=1S/C15H19FN4/c1-4-17-15-18-10-11(3)14(19-15)20(5-2)13-9-7-6-8-12(13)16/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyXOBQHNDJGWRZPC-UHFFFAOYSA-N
XLogP3.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80753509
4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817689
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 80826529
N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 80916335
5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine
CID 113367248
5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80757604
2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 80817458
2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80785003
4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80817893
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80809188
2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 134699655

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine (CID 80817690) is 2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine is CCNc1ncc(C)c(N(CC)c2ccccc2F)n1.
What is the InChIKey of 2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is XOBQHNDJGWRZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-4-17-15-18-10-11(3)14(19-15)20(5-2)13-9-7-6-8-12(13)16/h6-10H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine?
2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80817690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).