1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol

C15H24N4OS — CID 79379457

IUPAC1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1nc(N)c2c(C)c(C)sc2n1)CC(C)(C)O
InChIInChI=1S/C15H24N4OS/c1-6-19(8-15(4,5)20)7-11-17-13(16)12-9(2)10(3)21-14(12)18-11/h20H,6-8H2,1-5H3,(H2,16,17,18)
InChIKeyGFGYCABPVOKJJH-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.48
Rot. Bonds5

About 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol

1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 79379457) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
PubChem CID79379457
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1nc(N)c2c(C)c(C)sc2n1)CC(C)(C)O
InChIInChI=1S/C15H24N4OS/c1-6-19(8-15(4,5)20)7-11-17-13(16)12-9(2)10(3)21-14(12)18-11/h20H,6-8H2,1-5H3,(H2,16,17,18)
InChIKeyGFGYCABPVOKJJH-UHFFFAOYSA-N
XLogP2.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol (CID 79379457) is 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol is CCN(Cc1nc(N)c2c(C)c(C)sc2n1)CC(C)(C)O.
What is the InChIKey of 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is GFGYCABPVOKJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-6-19(8-15(4,5)20)7-11-17-13(16)12-9(2)10(3)21-14(12)18-11/h20H,6-8H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol?
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol has a molecular weight of 308.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79379457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).