1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol

C12H16N4OS — CID 62208261

IUPAC1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol
SMILESNc1nc(CN2CCCC(O)C2)nc2sccc12
InChIInChI=1S/C12H16N4OS/c13-11-9-3-5-18-12(9)15-10(14-11)7-16-4-1-2-8(17)6-16/h3,5,8,17H,1-2,4,6-7H2,(H2,13,14,15)
InChIKeyZGIGGCUTBNPPPU-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.23
Rot. Bonds2

About 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol

1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol (PubChem CID 62208261) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol
PubChem CID62208261
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol
SMILESNc1nc(CN2CCCC(O)C2)nc2sccc12
InChIInChI=1S/C12H16N4OS/c13-11-9-3-5-18-12(9)15-10(14-11)7-16-4-1-2-8(17)6-16/h3,5,8,17H,1-2,4,6-7H2,(H2,13,14,15)
InChIKeyZGIGGCUTBNPPPU-UHFFFAOYSA-N
XLogP1.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
CID 62208262
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 115561742
2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208113
2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide
CID 62209002
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62182765
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82753106
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 55131369
2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62209739
1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 130552808
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 79932781
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 64579820
4-chloro-2-[(4-methylazepan-1-yl)methyl]thieno[2,3-d]pyrimidine
CID 63623906

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol (CID 62208261) is 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol is Nc1nc(CN2CCCC(O)C2)nc2sccc12.
What is the InChIKey of 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol?
The InChIKey is ZGIGGCUTBNPPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c13-11-9-3-5-18-12(9)15-10(14-11)7-16-4-1-2-8(17)6-16/h3,5,8,17H,1-2,4,6-7H2,(H2,13,14,15).
What are the key properties of 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol?
1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol has a molecular weight of 264.35 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 62208261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).