2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide

C15H17FN4O — CID 134467314

IUPAC2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide
SMILESCNc1ncc(-c2ccc(F)c(C(N)=O)c2)c(C(C)C)n1
InChIInChI=1S/C15H17FN4O/c1-8(2)13-11(7-19-15(18-3)20-13)9-4-5-12(16)10(6-9)14(17)21/h4-8H,1-3H3,(H2,17,21)(H,18,19,20)
InChIKeyPLIPSCYTLGPPIF-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.55
Rot. Bonds4

About 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide

2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide (PubChem CID 134467314) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide
PubChem CID134467314
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide
SMILESCNc1ncc(-c2ccc(F)c(C(N)=O)c2)c(C(C)C)n1
InChIInChI=1S/C15H17FN4O/c1-8(2)13-11(7-19-15(18-3)20-13)9-4-5-12(16)10(6-9)14(17)21/h4-8H,1-3H3,(H2,17,21)(H,18,19,20)
InChIKeyPLIPSCYTLGPPIF-UHFFFAOYSA-N
XLogP2.55
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide?
The IUPAC name of 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide (CID 134467314) is 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide?
The canonical SMILES for 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide is CNc1ncc(-c2ccc(F)c(C(N)=O)c2)c(C(C)C)n1.
What is the InChIKey of 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide?
The InChIKey is PLIPSCYTLGPPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-8(2)13-11(7-19-15(18-3)20-13)9-4-5-12(16)10(6-9)14(17)21/h4-8H,1-3H3,(H2,17,21)(H,18,19,20).
What are the key properties of 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide?
2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide has a molecular weight of 288.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide is sourced from PubChem (CID 134467314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).