N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide

C15H13F2N3O — CID 122263855

IUPACN-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide
SMILESO=C(NCc1cc(C2CC2)ncn1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2N3O/c16-12-4-3-10(5-13(12)17)15(21)18-7-11-6-14(9-1-2-9)20-8-19-11/h3-6,8-9H,1-2,7H2,(H,18,21)
InChIKeyLPTNRBKAQKCJES-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.56
Rot. Bonds4

About N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide

N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide (PubChem CID 122263855) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide
PubChem CID122263855
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide
SMILESO=C(NCc1cc(C2CC2)ncn1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2N3O/c16-12-4-3-10(5-13(12)17)15(21)18-7-11-6-14(9-1-2-9)20-8-19-11/h3-6,8-9H,1-2,7H2,(H,18,21)
InChIKeyLPTNRBKAQKCJES-UHFFFAOYSA-N
XLogP2.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide
CID 122263987
4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide
CID 122263921
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide
CID 122263742
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 122263824
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 122263899
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide
CID 122263908
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide
CID 71797047
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122263898
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 122263792
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 122264045
1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea
CID 122264066
4-fluoro-3-hydroxy-N-(pyrimidin-4-ylmethyl)benzamide
CID 77082981

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide?
The IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide (CID 122263855) is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide is O=C(NCc1cc(C2CC2)ncn1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide?
The InChIKey is LPTNRBKAQKCJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c16-12-4-3-10(5-13(12)17)15(21)18-7-11-6-14(9-1-2-9)20-8-19-11/h3-6,8-9H,1-2,7H2,(H,18,21).
What are the key properties of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide?
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide has a molecular weight of 289.29 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide is sourced from PubChem (CID 122263855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).