4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine

C14H16FN3O — CID 116894641

IUPAC4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
SMILESCCOc1ccc(-c2cc(C)nc(NC)n2)cc1F
InChIInChI=1S/C14H16FN3O/c1-4-19-13-6-5-10(8-11(13)15)12-7-9(2)17-14(16-3)18-12/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyPJYWZKRRVDKFTP-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.03
Rot. Bonds4

About 4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine

4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine (PubChem CID 116894641) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
PubChem CID116894641
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
SMILESCCOc1ccc(-c2cc(C)nc(NC)n2)cc1F
InChIInChI=1S/C14H16FN3O/c1-4-19-13-6-5-10(8-11(13)15)12-7-9(2)17-14(16-3)18-12/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyPJYWZKRRVDKFTP-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine
CID 107290514
N,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine
CID 116894674
1-[4-(4-ethoxy-3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3616998
[4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine
CID 82479798
4-(3-fluoro-4-methoxyphenyl)-2-methoxy-6-methylpyrimidine
CID 116896805
N,4-dimethyl-6-quinolin-7-ylpyrimidin-2-amine
CID 81221352
4-(4-cyclopropyloxyphenyl)-N,6-dimethylpyrimidin-2-amine
CID 114520317
N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine
CID 82191492
6-(4-ethoxy-3-fluorophenyl)imidazo[1,2-b]pyridazine
CID 116854261
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
CID 82191629

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine (CID 116894641) is 4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine is CCOc1ccc(-c2cc(C)nc(NC)n2)cc1F.
What is the InChIKey of 4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is PJYWZKRRVDKFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-4-19-13-6-5-10(8-11(13)15)12-7-9(2)17-14(16-3)18-12/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine?
4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 261.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 116894641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).