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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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).