2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

C15H17N3O2S — CID 137335518

IUPAC2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESCc1nc(NCC(CO)Cc2ccco2)c2ccsc2n1
InChIInChI=1S/C15H17N3O2S/c1-10-17-14(13-4-6-21-15(13)18-10)16-8-11(9-19)7-12-3-2-5-20-12/h2-6,11,19H,7-9H2,1H3,(H,16,17,18)
InChIKeyGIHGMWYLMSBRBV-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.86
Rot. Bonds6

About 2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol (PubChem CID 137335518) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
PubChem CID137335518
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESCc1nc(NCC(CO)Cc2ccco2)c2ccsc2n1
InChIInChI=1S/C15H17N3O2S/c1-10-17-14(13-4-6-21-15(13)18-10)16-8-11(9-19)7-12-3-2-5-20-12/h2-6,11,19H,7-9H2,1H3,(H,16,17,18)
InChIKeyGIHGMWYLMSBRBV-UHFFFAOYSA-N
XLogP2.86
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol (CID 137335518) is 2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol is Cc1nc(NCC(CO)Cc2ccco2)c2ccsc2n1.
What is the InChIKey of 2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is GIHGMWYLMSBRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-17-14(13-4-6-21-15(13)18-10)16-8-11(9-19)7-12-3-2-5-20-12/h2-6,11,19H,7-9H2,1H3,(H,16,17,18).
What are the key properties of 2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 303.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 137335518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).