4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide

C24H27N5O2 — CID 71741428

IUPAC4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide
SMILESCC(C)(C)CNC(=O)Cc1ccc(Nc2nc(-c3ccccc3)ncc2C(N)=O)cc1
InChIInChI=1S/C24H27N5O2/c1-24(2,3)15-27-20(30)13-16-9-11-18(12-10-16)28-23-19(21(25)31)14-26-22(29-23)17-7-5-4-6-8-17/h4-12,14H,13,15H2,1-3H3,(H2,25,31)(H,27,30)(H,26,28,29)
InChIKeyFTPBVAQEKZTHST-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.69
Rot. Bonds7

About 4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide

4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide (PubChem CID 71741428) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide
PubChem CID71741428
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide
SMILESCC(C)(C)CNC(=O)Cc1ccc(Nc2nc(-c3ccccc3)ncc2C(N)=O)cc1
InChIInChI=1S/C24H27N5O2/c1-24(2,3)15-27-20(30)13-16-9-11-18(12-10-16)28-23-19(21(25)31)14-26-22(29-23)17-7-5-4-6-8-17/h4-12,14H,13,15H2,1-3H3,(H2,25,31)(H,27,30)(H,26,28,29)
InChIKeyFTPBVAQEKZTHST-UHFFFAOYSA-N
XLogP3.69
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide 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 4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide (CID 71741428) is 4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide is CC(C)(C)CNC(=O)Cc1ccc(Nc2nc(-c3ccccc3)ncc2C(N)=O)cc1.
What is the InChIKey of 4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide?
The InChIKey is FTPBVAQEKZTHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-24(2,3)15-27-20(30)13-16-9-11-18(12-10-16)28-23-19(21(25)31)14-26-22(29-23)17-7-5-4-6-8-17/h4-12,14H,13,15H2,1-3H3,(H2,25,31)(H,27,30)(H,26,28,29).
What are the key properties of 4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide?
4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]anilino]-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 71741428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).