2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide

C18H23FN4O — CID 72849157

IUPAC2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc(C)nc(CCNC(=O)C(c2ccc(F)cc2)N(C)C)n1
InChIInChI=1S/C18H23FN4O/c1-12-11-13(2)22-16(21-12)9-10-20-18(24)17(23(3)4)14-5-7-15(19)8-6-14/h5-8,11,17H,9-10H2,1-4H3,(H,20,24)
InChIKeyVHSISKHJUOTCQX-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.19
Rot. Bonds6

About 2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide

2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 72849157) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID72849157
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc(C)nc(CCNC(=O)C(c2ccc(F)cc2)N(C)C)n1
InChIInChI=1S/C18H23FN4O/c1-12-11-13(2)22-16(21-12)9-10-20-18(24)17(23(3)4)14-5-7-15(19)8-6-14/h5-8,11,17H,9-10H2,1-4H3,(H,20,24)
InChIKeyVHSISKHJUOTCQX-UHFFFAOYSA-N
XLogP2.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide (CID 72849157) is 2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide is Cc1cc(C)nc(CCNC(=O)C(c2ccc(F)cc2)N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is VHSISKHJUOTCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-12-11-13(2)22-16(21-12)9-10-20-18(24)17(23(3)4)14-5-7-15(19)8-6-14/h5-8,11,17H,9-10H2,1-4H3,(H,20,24).
What are the key properties of 2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 72849157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).