2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide

C13H19N5O2S — CID 106178963

IUPAC2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1nc(NCC(O)C(N)=O)c2cc(C)sc2n1
InChIInChI=1S/C13H19N5O2S/c1-3-4-15-13-17-11(16-6-9(19)10(14)20)8-5-7(2)21-12(8)18-13/h5,9,19H,3-4,6H2,1-2H3,(H2,14,20)(H2,15,16,17,18)
InChIKeySXZSXXFYAVTSLN-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.08
Rot. Bonds7

About 2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide

2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide (PubChem CID 106178963) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
PubChem CID106178963
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1nc(NCC(O)C(N)=O)c2cc(C)sc2n1
InChIInChI=1S/C13H19N5O2S/c1-3-4-15-13-17-11(16-6-9(19)10(14)20)8-5-7(2)21-12(8)18-13/h5,9,19H,3-4,6H2,1-2H3,(H2,14,20)(H2,15,16,17,18)
InChIKeySXZSXXFYAVTSLN-UHFFFAOYSA-N
XLogP1.08
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea
CID 103329585
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330356
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486
2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324859
2-methyl-2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324837
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
[1-[[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329347
6-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323240
6-methyl-4-N-(2-methylsulfanylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328024
4-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103325302
4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325198
1-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103332256

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide (CID 106178963) is 2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide is CCCNc1nc(NCC(O)C(N)=O)c2cc(C)sc2n1.
What is the InChIKey of 2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide?
The InChIKey is SXZSXXFYAVTSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-4-15-13-17-11(16-6-9(19)10(14)20)8-5-7(2)21-12(8)18-13/h5,9,19H,3-4,6H2,1-2H3,(H2,14,20)(H2,15,16,17,18).
What are the key properties of 2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide?
2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide has a molecular weight of 309.40 g/mol, XLogP of 1.08, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 106178963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).