(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol

C11H16N4OS — CID 121402889

IUPAC(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC[C@H](CO)Nc1nc(N)nc2ccsc12
InChIInChI=1S/C11H16N4OS/c1-2-3-7(6-16)13-10-9-8(4-5-17-9)14-11(12)15-10/h4-5,7,16H,2-3,6H2,1H3,(H3,12,13,14,15)/t7-/m1/s1
InChIKeyLINZEBOWNWMPEB-SSDOTTSWSA-N
MW252.34 g/mol
LogP1.85
Rot. Bonds5

About (2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol

(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 121402889) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is (2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
PubChem CID121402889
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC[C@H](CO)Nc1nc(N)nc2ccsc12
InChIInChI=1S/C11H16N4OS/c1-2-3-7(6-16)13-10-9-8(4-5-17-9)14-11(12)15-10/h4-5,7,16H,2-3,6H2,1H3,(H3,12,13,14,15)/t7-/m1/s1
InChIKeyLINZEBOWNWMPEB-SSDOTTSWSA-N
XLogP1.85
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of (2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol (CID 121402889) is (2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for (2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for (2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol is CCC[C@H](CO)Nc1nc(N)nc2ccsc12.
What is the InChIKey of (2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is LINZEBOWNWMPEB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-2-3-7(6-16)13-10-9-8(4-5-17-9)14-11(12)15-10/h4-5,7,16H,2-3,6H2,1H3,(H3,12,13,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol?
(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 252.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 121402889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).