2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol

C17H20N4OS — CID 166190654

IUPAC2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCc1sc2nc(-c3cccnc3)nc(N(C)C(C)CO)c2c1C
InChIInChI=1S/C17H20N4OS/c1-10(9-22)21(4)16-14-11(2)12(3)23-17(14)20-15(19-16)13-6-5-7-18-8-13/h5-8,10,22H,9H2,1-4H3
InChIKeyIVHCPSZNECBESK-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.19
Rot. Bonds4

About 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol

2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol (PubChem CID 166190654) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol
PubChem CID166190654
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCc1sc2nc(-c3cccnc3)nc(N(C)C(C)CO)c2c1C
InChIInChI=1S/C17H20N4OS/c1-10(9-22)21(4)16-14-11(2)12(3)23-17(14)20-15(19-16)13-6-5-7-18-8-13/h5-8,10,22H,9H2,1-4H3
InChIKeyIVHCPSZNECBESK-UHFFFAOYSA-N
XLogP3.19
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol (CID 166190654) is 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol is Cc1sc2nc(-c3cccnc3)nc(N(C)C(C)CO)c2c1C.
What is the InChIKey of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol?
The InChIKey is IVHCPSZNECBESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-10(9-22)21(4)16-14-11(2)12(3)23-17(14)20-15(19-16)13-6-5-7-18-8-13/h5-8,10,22H,9H2,1-4H3.
What are the key properties of 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol?
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol has a molecular weight of 328.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 166190654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).