3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide

C13H19N5OS — CID 103330351

IUPAC3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
SMILESCCCNc1nc(NC(C)CC(N)=O)c2ccsc2n1
InChIInChI=1S/C13H19N5OS/c1-3-5-15-13-17-11(16-8(2)7-10(14)19)9-4-6-20-12(9)18-13/h4,6,8H,3,5,7H2,1-2H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyVKDXMCKZKOOIBC-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.19
Rot. Bonds7

About 3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide

3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide (PubChem CID 103330351) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide.

Molecular Properties

Compound Name3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
PubChem CID103330351
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
SMILESCCCNc1nc(NC(C)CC(N)=O)c2ccsc2n1
InChIInChI=1S/C13H19N5OS/c1-3-5-15-13-17-11(16-8(2)7-10(14)19)9-4-6-20-12(9)18-13/h4,6,8H,3,5,7H2,1-2H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyVKDXMCKZKOOIBC-UHFFFAOYSA-N
XLogP2.19
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 103324159
4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330019
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330356
N,N-dimethyl-2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 103325902
4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
CID 103328395
2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 114231528
2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328260
4-methyl-1-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 107159683
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325366
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327329

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide?
The IUPAC name of 3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide (CID 103330351) is 3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide.
What is the SMILES notation for 3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide?
The canonical SMILES for 3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide is CCCNc1nc(NC(C)CC(N)=O)c2ccsc2n1.
What is the InChIKey of 3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide?
The InChIKey is VKDXMCKZKOOIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-3-5-15-13-17-11(16-8(2)7-10(14)19)9-4-6-20-12(9)18-13/h4,6,8H,3,5,7H2,1-2H3,(H2,14,19)(H2,15,16,17,18).
What are the key properties of 3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide?
3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide has a molecular weight of 293.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide is sourced from PubChem (CID 103330351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).