1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol

C15H17N3OS2 — CID 133403079

IUPAC1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol
SMILESCCc1nc(NCC(C)(O)c2ccsc2)c2ccsc2n1
InChIInChI=1S/C15H17N3OS2/c1-3-12-17-13(11-5-7-21-14(11)18-12)16-9-15(2,19)10-4-6-20-8-10/h4-8,19H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyNACUDALSECIWNQ-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.63
Rot. Bonds5

About 1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol

1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol (PubChem CID 133403079) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol
PubChem CID133403079
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC Name1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol
SMILESCCc1nc(NCC(C)(O)c2ccsc2)c2ccsc2n1
InChIInChI=1S/C15H17N3OS2/c1-3-12-17-13(11-5-7-21-14(11)18-12)16-9-15(2,19)10-4-6-20-8-10/h4-8,19H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyNACUDALSECIWNQ-UHFFFAOYSA-N
XLogP3.63
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol with MolForge

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Related Compounds

3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060901
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 133418146
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 122058535
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133403780
2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403456
2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403949
2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 138046013
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404165
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 133415292
(1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 99776459

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol (CID 133403079) is 1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol is CCc1nc(NCC(C)(O)c2ccsc2)c2ccsc2n1.
What is the InChIKey of 1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol?
The InChIKey is NACUDALSECIWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-3-12-17-13(11-5-7-21-14(11)18-12)16-9-15(2,19)10-4-6-20-8-10/h4-8,19H,3,9H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol?
1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol has a molecular weight of 319.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 133403079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).