6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide

C25H29N5O2 — CID 70794750

IUPAC6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)C(=O)c1ccccc1NC(=O)c1cc(NCCN(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C25H29N5O2/c1-17(2)23(31)19-12-8-9-13-20(19)28-25(32)21-16-22(26-14-15-30(3)4)29-24(27-21)18-10-6-5-7-11-18/h5-13,16-17H,14-15H2,1-4H3,(H,28,32)(H,26,27,29)
InChIKeyGCAYDZMIHQSNDJ-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.21
Rot. Bonds9

About 6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide

6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide (PubChem CID 70794750) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide
PubChem CID70794750
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)C(=O)c1ccccc1NC(=O)c1cc(NCCN(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C25H29N5O2/c1-17(2)23(31)19-12-8-9-13-20(19)28-25(32)21-16-22(26-14-15-30(3)4)29-24(27-21)18-10-6-5-7-11-18/h5-13,16-17H,14-15H2,1-4H3,(H,28,32)(H,26,27,29)
InChIKeyGCAYDZMIHQSNDJ-UHFFFAOYSA-N
XLogP4.21
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide (CID 70794750) is 6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide is CC(C)C(=O)c1ccccc1NC(=O)c1cc(NCCN(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is GCAYDZMIHQSNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17(2)23(31)19-12-8-9-13-20(19)28-25(32)21-16-22(26-14-15-30(3)4)29-24(27-21)18-10-6-5-7-11-18/h5-13,16-17H,14-15H2,1-4H3,(H,28,32)(H,26,27,29).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide?
6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 70794750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).