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

C12H13ClN4OS — CID 103322396

IUPAC2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
SMILESCC(Nc1nc(Cl)nc2sccc12)C(=O)NC1CC1
InChIInChI=1S/C12H13ClN4OS/c1-6(10(18)15-7-2-3-7)14-9-8-4-5-19-11(8)17-12(13)16-9/h4-7H,2-3H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyOIWOEEPGRNCIEM-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.42
Rot. Bonds4

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

2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide (PubChem CID 103322396) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
PubChem CID103322396
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
SMILESCC(Nc1nc(Cl)nc2sccc12)C(=O)NC1CC1
InChIInChI=1S/C12H13ClN4OS/c1-6(10(18)15-7-2-3-7)14-9-8-4-5-19-11(8)17-12(13)16-9/h4-7H,2-3H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyOIWOEEPGRNCIEM-UHFFFAOYSA-N
XLogP2.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 103329768
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]-2-methylbutan-1-ol
CID 103322519
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103325001
2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103322289
2-chloro-N-pent-1-yn-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 106232721
2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322551
1-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]but-3-en-2-one
CID 148612095
2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 106193237
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide
CID 145402038
N-cyclopropyl-2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 137341667

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide (CID 103322396) is 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide is CC(Nc1nc(Cl)nc2sccc12)C(=O)NC1CC1.
What is the InChIKey of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
The InChIKey is OIWOEEPGRNCIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-6(10(18)15-7-2-3-7)14-9-8-4-5-19-11(8)17-12(13)16-9/h4-7H,2-3H2,1H3,(H,15,18)(H,14,16,17).
What are the key properties of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide has a molecular weight of 296.78 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 103322396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).