5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide

C20H18F2N4O2 — CID 59681482

IUPAC5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(-c2ccnc(Nc3ccc(F)c(F)c3)n2)cc1C(N)=O
InChIInChI=1S/C20H18F2N4O2/c1-11(2)28-18-6-3-12(9-14(18)19(23)27)17-7-8-24-20(26-17)25-13-4-5-15(21)16(22)10-13/h3-11H,1-2H3,(H2,23,27)(H,24,25,26)
InChIKeyBXJCMTABXVKHTR-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.05
Rot. Bonds6

About 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide

5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide (PubChem CID 59681482) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide
PubChem CID59681482
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(-c2ccnc(Nc3ccc(F)c(F)c3)n2)cc1C(N)=O
InChIInChI=1S/C20H18F2N4O2/c1-11(2)28-18-6-3-12(9-14(18)19(23)27)17-7-8-24-20(26-17)25-13-4-5-15(21)16(22)10-13/h3-11H,1-2H3,(H2,23,27)(H,24,25,26)
InChIKeyBXJCMTABXVKHTR-UHFFFAOYSA-N
XLogP4.05
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide (CID 59681482) is 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(-c2ccnc(Nc3ccc(F)c(F)c3)n2)cc1C(N)=O.
What is the InChIKey of 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide?
The InChIKey is BXJCMTABXVKHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-11(2)28-18-6-3-12(9-14(18)19(23)27)17-7-8-24-20(26-17)25-13-4-5-15(21)16(22)10-13/h3-11H,1-2H3,(H2,23,27)(H,24,25,26).
What are the key properties of 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide?
5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide has a molecular weight of 384.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 59681482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).