3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide

C15H20N4O2 — CID 57496605

IUPAC3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cccc(C(N)=O)c2)N=C1N
InChIInChI=1S/C15H20N4O2/c1-14(2)12(21)19(4)13(17)18-15(14,3)10-7-5-6-9(8-10)11(16)20/h5-8H,1-4H3,(H2,16,20)(H2,17,18)/t15-/m1/s1
InChIKeyCDIGVESIKLWSTL-OAHLLOKOSA-N
MW288.35 g/mol
LogP0.81
Rot. Bonds2

About 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide

3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide (PubChem CID 57496605) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide
PubChem CID57496605
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cccc(C(N)=O)c2)N=C1N
InChIInChI=1S/C15H20N4O2/c1-14(2)12(21)19(4)13(17)18-15(14,3)10-7-5-6-9(8-10)11(16)20/h5-8H,1-4H3,(H2,16,20)(H2,17,18)/t15-/m1/s1
InChIKeyCDIGVESIKLWSTL-OAHLLOKOSA-N
XLogP0.81
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide?
The IUPAC name of 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide (CID 57496605) is 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide is CN1C(=O)C(C)(C)[C@@](C)(c2cccc(C(N)=O)c2)N=C1N.
What is the InChIKey of 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide?
The InChIKey is CDIGVESIKLWSTL-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-14(2)12(21)19(4)13(17)18-15(14,3)10-7-5-6-9(8-10)11(16)20/h5-8H,1-4H3,(H2,16,20)(H2,17,18)/t15-/m1/s1.
What are the key properties of 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide?
3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 57496605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).