5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide

C20H19FN4O2 — CID 10021796

IUPAC5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(-c2ccnc(Nc3ccc(F)cc3)n2)cc1C(N)=O
InChIInChI=1S/C20H19FN4O2/c1-12(2)27-18-8-3-13(11-16(18)19(22)26)17-9-10-23-20(25-17)24-15-6-4-14(21)5-7-15/h3-12H,1-2H3,(H2,22,26)(H,23,24,25)
InChIKeyKKVVRVVEIGGYJB-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.91
Rot. Bonds6

About 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide

5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide (PubChem CID 10021796) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide
PubChem CID10021796
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(-c2ccnc(Nc3ccc(F)cc3)n2)cc1C(N)=O
InChIInChI=1S/C20H19FN4O2/c1-12(2)27-18-8-3-13(11-16(18)19(22)26)17-9-10-23-20(25-17)24-15-6-4-14(21)5-7-15/h3-12H,1-2H3,(H2,22,26)(H,23,24,25)
InChIKeyKKVVRVVEIGGYJB-UHFFFAOYSA-N
XLogP3.91
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide (CID 10021796) is 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(-c2ccnc(Nc3ccc(F)cc3)n2)cc1C(N)=O.
What is the InChIKey of 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide?
The InChIKey is KKVVRVVEIGGYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-12(2)27-18-8-3-13(11-16(18)19(22)26)17-9-10-23-20(25-17)24-15-6-4-14(21)5-7-15/h3-12H,1-2H3,(H2,22,26)(H,23,24,25).
What are the key properties of 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide?
5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide has a molecular weight of 366.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 10021796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).