2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide

C9H11N5OS — CID 103325001

IUPAC2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCC(Nc1nc(N)nc2sccc12)C(N)=O
InChIInChI=1S/C9H11N5OS/c1-4(6(10)15)12-7-5-2-3-16-8(5)14-9(11)13-7/h2-4H,1H3,(H2,10,15)(H3,11,12,13,14)
InChIKeyVWTUDJUFLSQQNZ-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.56
Rot. Bonds3

About 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide

2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide (PubChem CID 103325001) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide
PubChem CID103325001
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCC(Nc1nc(N)nc2sccc12)C(N)=O
InChIInChI=1S/C9H11N5OS/c1-4(6(10)15)12-7-5-2-3-16-8(5)14-9(11)13-7/h2-4H,1H3,(H2,10,15)(H3,11,12,13,14)
InChIKeyVWTUDJUFLSQQNZ-UHFFFAOYSA-N
XLogP0.56
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 103329768
4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328271
4-N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324894
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 114148662
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 103322396
3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 106163052
4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330589
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329097
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 107818983
N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 103329780

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide (CID 103325001) is 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide is CC(Nc1nc(N)nc2sccc12)C(N)=O.
What is the InChIKey of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The InChIKey is VWTUDJUFLSQQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-4(6(10)15)12-7-5-2-3-16-8(5)14-9(11)13-7/h2-4H,1H3,(H2,10,15)(H3,11,12,13,14).
What are the key properties of 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide has a molecular weight of 237.29 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 103325001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).