N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine

C14H16FN3O2 — CID 115416312

IUPACN-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine
SMILESCCOc1ccc(Nc2cc(F)ncn2)cc1OCC
InChIInChI=1S/C14H16FN3O2/c1-3-19-11-6-5-10(7-12(11)20-4-2)18-14-8-13(15)16-9-17-14/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyZSBILERKCUNKQA-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.16
Rot. Bonds6

About N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine

N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine (PubChem CID 115416312) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine
PubChem CID115416312
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine
SMILESCCOc1ccc(Nc2cc(F)ncn2)cc1OCC
InChIInChI=1S/C14H16FN3O2/c1-3-19-11-6-5-10(7-12(11)20-4-2)18-14-8-13(15)16-9-17-14/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyZSBILERKCUNKQA-UHFFFAOYSA-N
XLogP3.16
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(3,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 64624289
N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine
CID 113305699
N-[3-(chloromethyl)-4-ethoxyphenyl]-6-ethylpyrimidin-4-amine
CID 65028591
4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866560
5-(3,4-diethoxyanilino)-2H-1,2,4-triazin-3-one
CID 20995208
6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112865234
4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866559
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
4-N-(3-fluoro-4-methoxyphenyl)pyrimidine-4,6-diamine
CID 80779473
5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine
CID 104532247
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine
CID 112699315
6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine
CID 113399791

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine?
The IUPAC name of N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine (CID 115416312) is N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine is CCOc1ccc(Nc2cc(F)ncn2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine?
The InChIKey is ZSBILERKCUNKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-3-19-11-6-5-10(7-12(11)20-4-2)18-14-8-13(15)16-9-17-14/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine?
N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine has a molecular weight of 277.30 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 115416312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).