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

C16H24N4OS — CID 110016996

IUPAC[1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanol
SMILESCc1sc2nc(CN3C(C)CCCC3CO)nc(N)c2c1C
InChIInChI=1S/C16H24N4OS/c1-9-5-4-6-12(8-21)20(9)7-13-18-15(17)14-10(2)11(3)22-16(14)19-13/h9,12,21H,4-8H2,1-3H3,(H2,17,18,19)
InChIKeyTUMGFAVAMQFKJH-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.63
Rot. Bonds3

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

[1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanol (PubChem CID 110016996) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is [1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanol
PubChem CID110016996
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name[1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanol
SMILESCc1sc2nc(CN3C(C)CCCC3CO)nc(N)c2c1C
InChIInChI=1S/C16H24N4OS/c1-9-5-4-6-12(8-21)20(9)7-13-18-15(17)14-10(2)11(3)22-16(14)19-13/h9,12,21H,4-8H2,1-3H3,(H2,17,18,19)
InChIKeyTUMGFAVAMQFKJH-UHFFFAOYSA-N
XLogP2.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanol with MolForge

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Related Compounds

1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol
CID 60703002
5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60703001
[1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol
CID 61406446
2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60707023
5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60701185
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one
CID 62207968
2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9115252
4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione
CID 62194704
2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 107401404
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol
CID 43502532
[5,6-dimethyl-2-[(2-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244800
2-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025320

Frequently Asked Questions

What is the IUPAC name of [1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanol?
The IUPAC name of [1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanol (CID 110016996) is [1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanol?
The canonical SMILES for [1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanol is Cc1sc2nc(CN3C(C)CCCC3CO)nc(N)c2c1C.
What is the InChIKey of [1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanol?
The InChIKey is TUMGFAVAMQFKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-9-5-4-6-12(8-21)20(9)7-13-18-15(17)14-10(2)11(3)22-16(14)19-13/h9,12,21H,4-8H2,1-3H3,(H2,17,18,19).
What are the key properties of [1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanol?
[1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanol has a molecular weight of 320.46 g/mol, XLogP of 2.63, 3 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]-6-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 110016996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).