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

C12H15ClN4OS — CID 106279572

IUPAC3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc(Cl)nc2sccc12
InChIInChI=1S/C12H15ClN4OS/c1-12(2,10(18)14-3)6-15-8-7-4-5-19-9(7)17-11(13)16-8/h4-5H,6H2,1-3H3,(H,14,18)(H,15,16,17)
InChIKeyIAGVUKDDMQSIJS-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.53
Rot. Bonds4

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

3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106279572) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106279572
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc(Cl)nc2sccc12
InChIInChI=1S/C12H15ClN4OS/c1-12(2,10(18)14-3)6-15-8-7-4-5-19-9(7)17-11(13)16-8/h4-5H,6H2,1-3H3,(H,14,18)(H,15,16,17)
InChIKeyIAGVUKDDMQSIJS-UHFFFAOYSA-N
XLogP2.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248457
N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 103320479
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide
CID 103320684
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 103321319
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106279604
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103320619
3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145573

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (CID 106279572) is 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1nc(Cl)nc2sccc12.
What is the InChIKey of 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is IAGVUKDDMQSIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-12(2,10(18)14-3)6-15-8-7-4-5-19-9(7)17-11(13)16-8/h4-5H,6H2,1-3H3,(H,14,18)(H,15,16,17).
What are the key properties of 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 298.80 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 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,2,2-trimethylpropanamide is sourced from PubChem (CID 106279572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).