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

C14H20N4OS — CID 60703002

IUPAC1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol
SMILESCc1sc2nc(CN3CCC(O)CC3)nc(N)c2c1C
InChIInChI=1S/C14H20N4OS/c1-8-9(2)20-14-12(8)13(15)16-11(17-14)7-18-5-3-10(19)4-6-18/h10,19H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyGGSYEFKQGOXXHG-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.85
Rot. Bonds2

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

1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol (PubChem CID 60703002) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol
PubChem CID60703002
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol
SMILESCc1sc2nc(CN3CCC(O)CC3)nc(N)c2c1C
InChIInChI=1S/C14H20N4OS/c1-8-9(2)20-14-12(8)13(15)16-11(17-14)7-18-5-3-10(19)4-6-18/h10,19H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyGGSYEFKQGOXXHG-UHFFFAOYSA-N
XLogP1.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.85
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]piperidin-4-ol?
The IUPAC name of 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol (CID 60703002) is 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol is Cc1sc2nc(CN3CCC(O)CC3)nc(N)c2c1C.
What is the InChIKey of 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol?
The InChIKey is GGSYEFKQGOXXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-8-9(2)20-14-12(8)13(15)16-11(17-14)7-18-5-3-10(19)4-6-18/h10,19H,3-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol?
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol has a molecular weight of 292.41 g/mol, XLogP of 1.85, 2 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]piperidin-4-ol is sourced from PubChem (CID 60703002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).