5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine

C14H17FN4O — CID 80854900

IUPAC5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1cc(OC)ccc1F
InChIInChI=1S/C14H17FN4O/c1-4-10-13(16-2)17-8-18-14(10)19-12-7-9(20-3)5-6-11(12)15/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyULYQWHHSRXJBNM-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.97
Rot. Bonds5

About 5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine

5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80854900) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80854900
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1cc(OC)ccc1F
InChIInChI=1S/C14H17FN4O/c1-4-10-13(16-2)17-8-18-14(10)19-12-7-9(20-3)5-6-11(12)15/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyULYQWHHSRXJBNM-UHFFFAOYSA-N
XLogP2.97
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80824993
5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760040
4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80779766
4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80798019
4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80759222
5-bromo-6-chloro-N-(2-fluoro-5-methoxyphenyl)pyrimidin-4-amine
CID 114071767
6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine
CID 80805047
4-N-(5-bromo-2-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80804931
N-(2-bromo-5-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924194
N-(2,4-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80913595
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399
4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142786

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine (CID 80854900) is 5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1Nc1cc(OC)ccc1F.
What is the InChIKey of 5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is ULYQWHHSRXJBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-4-10-13(16-2)17-8-18-14(10)19-12-7-9(20-3)5-6-11(12)15/h5-8H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine?
5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 276.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80854900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).