6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide

C23H23N7OS — CID 58148597

IUPAC6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide
SMILESCN(C)CCNc1cc(C(=O)Nc2ccccc2-c2nncs2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H23N7OS/c1-30(2)13-12-24-20-14-19(26-21(28-20)16-8-4-3-5-9-16)22(31)27-18-11-7-6-10-17(18)23-29-25-15-32-23/h3-11,14-15H,12-13H2,1-2H3,(H,27,31)(H,24,26,28)
InChIKeyRCHUHWQQAKNTGL-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.89
Rot. Bonds8

About 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide

6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 58148597) has the molecular formula C23H23N7OS and a molecular weight of 445.55 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID58148597
Molecular FormulaC23H23N7OS
Molecular Weight445.55 g/mol
Exact Mass445.17
IUPAC Name6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide
SMILESCN(C)CCNc1cc(C(=O)Nc2ccccc2-c2nncs2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H23N7OS/c1-30(2)13-12-24-20-14-19(26-21(28-20)16-8-4-3-5-9-16)22(31)27-18-11-7-6-10-17(18)23-29-25-15-32-23/h3-11,14-15H,12-13H2,1-2H3,(H,27,31)(H,24,26,28)
InChIKeyRCHUHWQQAKNTGL-UHFFFAOYSA-N
XLogP3.89
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 42603313
6-[2-(dimethylamino)ethylamino]-N-[2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]phenyl]-2-phenylpyrimidine-4-carboxamide
CID 58148638
6-[2-(dimethylamino)ethylamino]-N-(2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853624
6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide
CID 70794750
3-[[2-[[6-[2-(dimethylamino)ethylamino]-2-phenylpyrimidine-4-carbonyl]amino]benzoyl]amino]propanoic acid
CID 42603279
6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853626
N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853650
6-[3-(dimethylamino)propylamino]-N-(4-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853744
N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853731
6-(2-aminoethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101617
6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852103
N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851336

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide (CID 58148597) is 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide is CN(C)CCNc1cc(C(=O)Nc2ccccc2-c2nncs2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is RCHUHWQQAKNTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7OS/c1-30(2)13-12-24-20-14-19(26-21(28-20)16-8-4-3-5-9-16)22(31)27-18-11-7-6-10-17(18)23-29-25-15-32-23/h3-11,14-15H,12-13H2,1-2H3,(H,27,31)(H,24,26,28).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide?
6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 445.55 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 58148597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).