3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide

C11H13ClN4OS — CID 103321319

IUPAC3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc(Cl)nc2sccc12
InChIInChI=1S/C11H13ClN4OS/c1-16(2)8(17)3-5-13-9-7-4-6-18-10(7)15-11(12)14-9/h4,6H,3,5H2,1-2H3,(H,13,14,15)
InChIKeySRMMLFNCONYSKE-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.23
Rot. Bonds4

About 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide

3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 103321319) has the molecular formula C11H13ClN4OS and a molecular weight of 284.77 g/mol. Its IUPAC name is 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID103321319
Molecular FormulaC11H13ClN4OS
Molecular Weight284.77 g/mol
Exact Mass284.05
IUPAC Name3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc(Cl)nc2sccc12
InChIInChI=1S/C11H13ClN4OS/c1-16(2)8(17)3-5-13-9-7-4-6-18-10(7)15-11(12)14-9/h4,6H,3,5H2,1-2H3,(H,13,14,15)
InChIKeySRMMLFNCONYSKE-UHFFFAOYSA-N
XLogP2.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 103326824
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide
CID 103320684
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106279572
N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 103320479
2-chloro-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321517
2-chloro-N-(5-methylsulfanylpentyl)thieno[2,3-d]pyrimidin-4-amine
CID 114128756
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549
2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103322289
N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 114133090

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide (CID 103321319) is 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1nc(Cl)nc2sccc12.
What is the InChIKey of 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is SRMMLFNCONYSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4OS/c1-16(2)8(17)3-5-13-9-7-4-6-18-10(7)15-11(12)14-9/h4,6H,3,5H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 284.77 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 103321319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).