6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine

C14H15F2N3 — CID 80936764

IUPAC6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(-c2cc(F)ccc2F)nc(CC)n1
InChIInChI=1S/C14H15F2N3/c1-3-13-18-12(8-14(19-13)17-4-2)10-7-9(15)5-6-11(10)16/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyGKZHNZWXNBMYCP-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.42
Rot. Bonds4

About 6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine

6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine (PubChem CID 80936764) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine
PubChem CID80936764
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(-c2cc(F)ccc2F)nc(CC)n1
InChIInChI=1S/C14H15F2N3/c1-3-13-18-12(8-14(19-13)17-4-2)10-7-9(15)5-6-11(10)16/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyGKZHNZWXNBMYCP-UHFFFAOYSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 80952411
4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine
CID 80936304
N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine
CID 80936579
6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935782
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80939031
2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine
CID 80936143
2-ethyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80936849
N,2-diethyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80935861
N-ethyl-2-propyl-6-(2,3,4-trifluorophenyl)pyrimidin-4-amine
CID 80939393
N,2-diethyl-6-(3-methyl-4-pyridinyl)pyrimidin-4-amine
CID 80935529
6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine
CID 82804327
4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine (CID 80936764) is 6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine is CCNc1cc(-c2cc(F)ccc2F)nc(CC)n1.
What is the InChIKey of 6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine?
The InChIKey is GKZHNZWXNBMYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-3-13-18-12(8-14(19-13)17-4-2)10-7-9(15)5-6-11(10)16/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine?
6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine has a molecular weight of 263.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine is sourced from PubChem (CID 80936764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).