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

C13H17ClN4OS — CID 103320685

IUPAC2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(Cl)nc2sc(CC)cc12
InChIInChI=1S/C13H17ClN4OS/c1-3-5-15-10(19)7-16-11-9-6-8(4-2)20-12(9)18-13(14)17-11/h6H,3-5,7H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyVERHZSVYYVOQQP-UHFFFAOYSA-N
MW312.83 g/mol
LogP2.85
Rot. Bonds6

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

2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide (PubChem CID 103320685) has the molecular formula C13H17ClN4OS and a molecular weight of 312.83 g/mol. Its IUPAC name is 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
PubChem CID103320685
Molecular FormulaC13H17ClN4OS
Molecular Weight312.83 g/mol
Exact Mass312.08
IUPAC Name2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(Cl)nc2sc(CC)cc12
InChIInChI=1S/C13H17ClN4OS/c1-3-5-15-10(19)7-16-11-9-6-8(4-2)20-12(9)18-13(14)17-11/h6H,3-5,7H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyVERHZSVYYVOQQP-UHFFFAOYSA-N
XLogP2.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.83
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 103322382
2-chloro-6-ethyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066432
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 39085002
4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 82066376
2-chloro-6-ethyl-N-(3-methyl-2-propan-2-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322726
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide
CID 79075450
2-chloro-N-(2-cyclopentylethyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320769
2-chloro-6-ethyl-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 106293411
2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322700
2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066429
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide
CID 103321007
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide
CID 39085005

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide (CID 103320685) is 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1nc(Cl)nc2sc(CC)cc12.
What is the InChIKey of 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide?
The InChIKey is VERHZSVYYVOQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4OS/c1-3-5-15-10(19)7-16-11-9-6-8(4-2)20-12(9)18-13(14)17-11/h6H,3-5,7H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide?
2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide has a molecular weight of 312.83 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide is sourced from PubChem (CID 103320685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).