4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine

C14H17FN4O — CID 80778681

IUPAC4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(Nc2ccc(OC)c(F)c2)c1C
InChIInChI=1S/C14H17FN4O/c1-8-13(16-3)17-9(2)18-14(8)19-10-5-6-12(20-4)11(15)7-10/h5-7H,1-4H3,(H2,16,17,18,19)
InChIKeySSFWWGYZOWKCDA-UHFFFAOYSA-N
MW276.32 g/mol
LogP3.03
Rot. Bonds4

About 4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80778681) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80778681
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(Nc2ccc(OC)c(F)c2)c1C
InChIInChI=1S/C14H17FN4O/c1-8-13(16-3)17-9(2)18-14(8)19-10-5-6-12(20-4)11(15)7-10/h5-7H,1-4H3,(H2,16,17,18,19)
InChIKeySSFWWGYZOWKCDA-UHFFFAOYSA-N
XLogP3.03
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80911783
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
N-(3-fluoro-4-methoxyphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80894943
2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80986122
4-N-(3-fluoro-4-methoxyphenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80773271
4-N-(4-bromo-3-chlorophenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 107617897
6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 80769102
4-N-(3-fluoro-4-methoxyphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80771186
4-N-(4-ethoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769010
6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736431
4-N-[4-(dimethylamino)phenyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80789763
3,5-dibromo-N-(3-fluoro-4-methoxyphenyl)pyridin-2-amine
CID 113413794

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80778681) is 4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine is CNc1nc(C)nc(Nc2ccc(OC)c(F)c2)c1C.
What is the InChIKey of 4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is SSFWWGYZOWKCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-8-13(16-3)17-9(2)18-14(8)19-10-5-6-12(20-4)11(15)7-10/h5-7H,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 276.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80778681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).