2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide

C15H14ClFN4O — CID 133476266

IUPAC2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(Nc1cc(Cl)nc(C2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C15H14ClFN4O/c16-11-7-12(21-15(19-11)9-1-2-9)20-13(14(18)22)8-3-5-10(17)6-4-8/h3-7,9,13H,1-2H2,(H2,18,22)(H,19,20,21)
InChIKeyVSVWEEGHZVLARA-UHFFFAOYSA-N
MW320.76 g/mol
LogP2.79
Rot. Bonds5

About 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide

2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide (PubChem CID 133476266) has the molecular formula C15H14ClFN4O and a molecular weight of 320.76 g/mol. Its IUPAC name is 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide
PubChem CID133476266
Molecular FormulaC15H14ClFN4O
Molecular Weight320.76 g/mol
Exact Mass320.08
IUPAC Name2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(Nc1cc(Cl)nc(C2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C15H14ClFN4O/c16-11-7-12(21-15(19-11)9-1-2-9)20-13(14(18)22)8-3-5-10(17)6-4-8/h3-7,9,13H,1-2H2,(H2,18,22)(H,19,20,21)
InChIKeyVSVWEEGHZVLARA-UHFFFAOYSA-N
XLogP2.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide (CID 133476266) is 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide is NC(=O)C(Nc1cc(Cl)nc(C2CC2)n1)c1ccc(F)cc1.
What is the InChIKey of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide?
The InChIKey is VSVWEEGHZVLARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O/c16-11-7-12(21-15(19-11)9-1-2-9)20-13(14(18)22)8-3-5-10(17)6-4-8/h3-7,9,13H,1-2H2,(H2,18,22)(H,19,20,21).
What are the key properties of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide?
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide has a molecular weight of 320.76 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 133476266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).