(5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C11H14ClN3O2S — CID 134959598

IUPAC(5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=[S@@]1CCc2nc(Cl)nc(NC3CCOCC3)c21
InChIInChI=1S/C11H14ClN3O2S/c12-11-14-8-3-6-18(16)9(8)10(15-11)13-7-1-4-17-5-2-7/h7H,1-6H2,(H,13,14,15)/t18-/m1/s1
InChIKeyINNYHOLWLAZUOA-GOSISDBHSA-N
MW287.77 g/mol
LogP1.38
Rot. Bonds2

About (5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

(5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 134959598) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is (5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name(5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID134959598
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC Name(5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=[S@@]1CCc2nc(Cl)nc(NC3CCOCC3)c21
InChIInChI=1S/C11H14ClN3O2S/c12-11-14-8-3-6-18(16)9(8)10(15-11)13-7-1-4-17-5-2-7/h7H,1-6H2,(H,13,14,15)/t18-/m1/s1
InChIKeyINNYHOLWLAZUOA-GOSISDBHSA-N
XLogP1.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

US11299497, Example 2
CID 138688042
US11299497, Example 1
CID 138688150
US11299497, Example 3
CID 138699214
US11299497, Example 4
CID 164607248
US11299497, Example 5
CID 164607249
US11299497, Example 6
CID 164607256
US11299497, Example 7
CID 164607257
US11299497, Example 8
CID 164607258
US11299497, Example 9
CID 164607259
US11299497, Example 12
CID 164607262
US11299497, Example 13
CID 164607263
US11299497, Example 14
CID 164607264

Frequently Asked Questions

What is the IUPAC name of (5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of (5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 134959598) is (5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for (5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for (5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=[S@@]1CCc2nc(Cl)nc(NC3CCOCC3)c21.
What is the InChIKey of (5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is INNYHOLWLAZUOA-GOSISDBHSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c12-11-14-8-3-6-18(16)9(8)10(15-11)13-7-1-4-17-5-2-7/h7H,1-6H2,(H,13,14,15)/t18-/m1/s1.
What are the key properties of (5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
(5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 287.77 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-chloro-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 134959598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).