N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide

C17H19FN4O2 — CID 50958667

IUPACN-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C(=O)Nc2cc(F)ccc2C)nc(C)n1
InChIInChI=1S/C17H19FN4O2/c1-9-5-6-13(18)8-14(9)22-16(23)11(3)20-17(24)15-7-10(2)19-12(4)21-15/h5-8,11H,1-4H3,(H,20,24)(H,22,23)
InChIKeyXHTRKUIIYNBWGW-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.30
Rot. Bonds4

About N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide

N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 50958667) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID50958667
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C(=O)Nc2cc(F)ccc2C)nc(C)n1
InChIInChI=1S/C17H19FN4O2/c1-9-5-6-13(18)8-14(9)22-16(23)11(3)20-17(24)15-7-10(2)19-12(4)21-15/h5-8,11H,1-4H3,(H,20,24)(H,22,23)
InChIKeyXHTRKUIIYNBWGW-UHFFFAOYSA-N
XLogP2.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide (CID 50958667) is N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC(C)C(=O)Nc2cc(F)ccc2C)nc(C)n1.
What is the InChIKey of N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is XHTRKUIIYNBWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-9-5-6-13(18)8-14(9)22-16(23)11(3)20-17(24)15-7-10(2)19-12(4)21-15/h5-8,11H,1-4H3,(H,20,24)(H,22,23).
What are the key properties of N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide?
N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 50958667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).