N,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide

C20H20N6OS — CID 133276092

IUPACN,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide
SMILESCc1nc(Nc2cnn(CC(=O)N(C)C)c2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H20N6OS/c1-13-22-19(24-15-9-21-26(10-15)11-17(27)25(2)3)18-16(12-28-20(18)23-13)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,22,23,24)
InChIKeyXLZXNIBBSVMLND-UHFFFAOYSA-N
MW392.49 g/mol
LogP3.70
Rot. Bonds5

About N,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide

N,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide (PubChem CID 133276092) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide
PubChem CID133276092
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC NameN,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide
SMILESCc1nc(Nc2cnn(CC(=O)N(C)C)c2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H20N6OS/c1-13-22-19(24-15-9-21-26(10-15)11-17(27)25(2)3)18-16(12-28-20(18)23-13)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,22,23,24)
InChIKeyXLZXNIBBSVMLND-UHFFFAOYSA-N
XLogP3.70
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide 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

2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279117
2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279098
N-ethyl-2-[ethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9337907
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 133278807
1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 75422132
(1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
CID 9311855
2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848884
2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133281591
5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide
CID 156555279
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133433969
N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide
CID 133276027
N,N-dimethyl-2-[4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)pyrazol-1-yl]acetamide
CID 133276060

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide (CID 133276092) is N,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide is Cc1nc(Nc2cnn(CC(=O)N(C)C)c2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of N,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide?
The InChIKey is XLZXNIBBSVMLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-13-22-19(24-15-9-21-26(10-15)11-17(27)25(2)3)18-16(12-28-20(18)23-13)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,22,23,24).
What are the key properties of N,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide?
N,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide has a molecular weight of 392.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 133276092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).