2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol

C15H18FN3O2 — CID 74234848

IUPAC2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol
SMILESCC(C)Oc1cc(F)cc(-c2cc(NCCO)ncn2)c1
InChIInChI=1S/C15H18FN3O2/c1-10(2)21-13-6-11(5-12(16)7-13)14-8-15(17-3-4-20)19-9-18-14/h5-10,20H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyKIPABWRQXKEGRA-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.47
Rot. Bonds6

About 2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol

2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol (PubChem CID 74234848) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol
PubChem CID74234848
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol
SMILESCC(C)Oc1cc(F)cc(-c2cc(NCCO)ncn2)c1
InChIInChI=1S/C15H18FN3O2/c1-10(2)21-13-6-11(5-12(16)7-13)14-8-15(17-3-4-20)19-9-18-14/h5-10,20H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyKIPABWRQXKEGRA-UHFFFAOYSA-N
XLogP2.47
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol (CID 74234848) is 2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol is CC(C)Oc1cc(F)cc(-c2cc(NCCO)ncn2)c1.
What is the InChIKey of 2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is KIPABWRQXKEGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10(2)21-13-6-11(5-12(16)7-13)14-8-15(17-3-4-20)19-9-18-14/h5-10,20H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol?
2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 291.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 74234848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).