2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide

C13H17ClN4OS — CID 103321007

IUPAC2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C13H17ClN4OS/c1-4-5-15-11(19)8(3)16-10-9-6-7(2)20-12(9)18-13(14)17-10/h6,8H,4-5H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyPINMXIMONBSOMY-UHFFFAOYSA-N
MW312.83 g/mol
LogP2.98
Rot. Bonds5

About 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide

2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide (PubChem CID 103321007) has the molecular formula C13H17ClN4OS and a molecular weight of 312.83 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide
PubChem CID103321007
Molecular FormulaC13H17ClN4OS
Molecular Weight312.83 g/mol
Exact Mass312.08
IUPAC Name2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C13H17ClN4OS/c1-4-5-15-11(19)8(3)16-10-9-6-7(2)20-12(9)18-13(14)17-10/h6,8H,4-5H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyPINMXIMONBSOMY-UHFFFAOYSA-N
XLogP2.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.83
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide 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-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 82066307
2-chloro-6-methyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103321761
N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106196459
2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 50947008
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide
CID 81036335
2-chloro-6-methyl-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322498
2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
CID 103320685
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320629
2-chloro-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321900
2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322476
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80801182
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330356

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide (CID 103321007) is 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1nc(Cl)nc2sc(C)cc12.
What is the InChIKey of 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide?
The InChIKey is PINMXIMONBSOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4OS/c1-4-5-15-11(19)8(3)16-10-9-6-7(2)20-12(9)18-13(14)17-10/h6,8H,4-5H2,1-3H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide?
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide has a molecular weight of 312.83 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 103321007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).