N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide

C22H25N5O — CID 112853685

IUPACN-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(N(C)c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H25N5O/c1-26(2)15-14-23-22(28)19-16-20(27(3)18-12-8-5-9-13-18)25-21(24-19)17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3,(H,23,28)
InChIKeyZLJFJNHNYNAWEU-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.20
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853685) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853685
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(N(C)c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H25N5O/c1-26(2)15-14-23-22(28)19-16-20(27(3)18-12-8-5-9-13-18)25-21(24-19)17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3,(H,23,28)
InChIKeyZLJFJNHNYNAWEU-UHFFFAOYSA-N
XLogP3.20
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851649
N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112854326
N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852599
N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853682
6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
CID 112853763
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853652
6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853212
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366329
N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366778
6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852103
N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336121

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide (CID 112853685) is N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide is CN(C)CCNC(=O)c1cc(N(C)c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is ZLJFJNHNYNAWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26(2)15-14-23-22(28)19-16-20(27(3)18-12-8-5-9-13-18)25-21(24-19)17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3,(H,23,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).