4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide

C19H23N3O — CID 122263921

IUPAC4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2cc(C3CC3)ncn2)cc1
InChIInChI=1S/C19H23N3O/c1-19(2,3)15-8-6-14(7-9-15)18(23)20-11-16-10-17(13-4-5-13)22-12-21-16/h6-10,12-13H,4-5,11H2,1-3H3,(H,20,23)
InChIKeyBWHWGMRQFSEGAX-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.58
Rot. Bonds4

About 4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide

4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide (PubChem CID 122263921) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide
PubChem CID122263921
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2cc(C3CC3)ncn2)cc1
InChIInChI=1S/C19H23N3O/c1-19(2,3)15-8-6-14(7-9-15)18(23)20-11-16-10-17(13-4-5-13)22-12-21-16/h6-10,12-13H,4-5,11H2,1-3H3,(H,20,23)
InChIKeyBWHWGMRQFSEGAX-UHFFFAOYSA-N
XLogP3.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide
CID 122263855
N-[(6-cyclopropylpyrimidin-4-yl)methyl]quinoxaline-6-carboxamide
CID 122263987
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 122263824
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide
CID 122263742
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 122263899
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122263898
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide
CID 122263908
1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea
CID 122264075
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 122263851
1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea
CID 122264066
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 122263792
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide (CID 122263921) is 4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCc2cc(C3CC3)ncn2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is BWHWGMRQFSEGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-19(2,3)15-8-6-14(7-9-15)18(23)20-11-16-10-17(13-4-5-13)22-12-21-16/h6-10,12-13H,4-5,11H2,1-3H3,(H,20,23).
What are the key properties of 4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide?
4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 122263921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).