(3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol

C13H17N3O2S — CID 56898903

IUPAC(3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol
SMILESCc1csc2c(N3CC[C@H](CO)[C@@H](O)C3)ncnc12
InChIInChI=1S/C13H17N3O2S/c1-8-6-19-12-11(8)14-7-15-13(12)16-3-2-9(5-17)10(18)4-16/h6-7,9-10,17-18H,2-5H2,1H3/t9-,10+/m1/s1
InChIKeySOFFYJRYRRWDCU-ZJUUUORDSA-N
MW279.36 g/mol
LogP1.18
Rot. Bonds2

About (3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol

(3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol (PubChem CID 56898903) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is (3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol
PubChem CID56898903
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name(3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol
SMILESCc1csc2c(N3CC[C@H](CO)[C@@H](O)C3)ncnc12
InChIInChI=1S/C13H17N3O2S/c1-8-6-19-12-11(8)14-7-15-13(12)16-3-2-9(5-17)10(18)4-16/h6-7,9-10,17-18H,2-5H2,1H3/t9-,10+/m1/s1
InChIKeySOFFYJRYRRWDCU-ZJUUUORDSA-N
XLogP1.18
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol (CID 56898903) is (3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol is Cc1csc2c(N3CC[C@H](CO)[C@@H](O)C3)ncnc12.
What is the InChIKey of (3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol?
The InChIKey is SOFFYJRYRRWDCU-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8-6-19-12-11(8)14-7-15-13(12)16-3-2-9(5-17)10(18)4-16/h6-7,9-10,17-18H,2-5H2,1H3/t9-,10+/m1/s1.
What are the key properties of (3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol?
(3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol has a molecular weight of 279.36 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 56898903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).