N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide

C15H16FN3O — CID 122262814

IUPACN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cc(-c2ccc(F)cc2)ncn1
InChIInChI=1S/C15H16FN3O/c1-10(2)15(20)17-8-13-7-14(19-9-18-13)11-3-5-12(16)6-4-11/h3-7,9-10H,8H2,1-2H3,(H,17,20)
InChIKeyXFADQGPABIVUDH-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.55
Rot. Bonds4

About N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide (PubChem CID 122262814) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
PubChem CID122262814
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cc(-c2ccc(F)cc2)ncn1
InChIInChI=1S/C15H16FN3O/c1-10(2)15(20)17-8-13-7-14(19-9-18-13)11-3-5-12(16)6-4-11/h3-7,9-10H,8H2,1-2H3,(H,17,20)
InChIKeyXFADQGPABIVUDH-UHFFFAOYSA-N
XLogP2.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide
CID 122262795
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 122262849
2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262243
(E)-3-(4-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]prop-2-enamide
CID 122262836
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide
CID 122263018
1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide
CID 122262943
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 122262877
2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262955
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 122262878
2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122262058
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 122263042

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide (CID 122262814) is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1cc(-c2ccc(F)cc2)ncn1.
What is the InChIKey of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide?
The InChIKey is XFADQGPABIVUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10(2)15(20)17-8-13-7-14(19-9-18-13)11-3-5-12(16)6-4-11/h3-7,9-10H,8H2,1-2H3,(H,17,20).
What are the key properties of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide?
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide has a molecular weight of 273.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 122262814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).