(3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol

C11H15ClFN3OS — CID 176955909

IUPAC(3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol
SMILESCC(C)(O)[C@H](F)CNc1nc(Cl)nc2c1SCC2
InChIInChI=1S/C11H15ClFN3OS/c1-11(2,17)7(13)5-14-9-8-6(3-4-18-8)15-10(12)16-9/h7,17H,3-5H2,1-2H3,(H,14,15,16)/t7-/m1/s1
InChIKeyQJKUTAJCCPVUJT-SSDOTTSWSA-N
MW291.78 g/mol
LogP2.30
Rot. Bonds4

About (3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol

(3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol (PubChem CID 176955909) has the molecular formula C11H15ClFN3OS and a molecular weight of 291.78 g/mol. Its IUPAC name is (3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name(3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol
PubChem CID176955909
Molecular FormulaC11H15ClFN3OS
Molecular Weight291.78 g/mol
Exact Mass291.06
IUPAC Name(3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol
SMILESCC(C)(O)[C@H](F)CNc1nc(Cl)nc2c1SCC2
InChIInChI=1S/C11H15ClFN3OS/c1-11(2,17)7(13)5-14-9-8-6(3-4-18-8)15-10(12)16-9/h7,17H,3-5H2,1-2H3,(H,14,15,16)/t7-/m1/s1
InChIKeyQJKUTAJCCPVUJT-SSDOTTSWSA-N
XLogP2.30
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol?
The IUPAC name of (3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol (CID 176955909) is (3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol.
What is the SMILES notation for (3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol?
The canonical SMILES for (3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol is CC(C)(O)[C@H](F)CNc1nc(Cl)nc2c1SCC2.
What is the InChIKey of (3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol?
The InChIKey is QJKUTAJCCPVUJT-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15ClFN3OS/c1-11(2,17)7(13)5-14-9-8-6(3-4-18-8)15-10(12)16-9/h7,17H,3-5H2,1-2H3,(H,14,15,16)/t7-/m1/s1.
What are the key properties of (3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol?
(3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol has a molecular weight of 291.78 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-2-methylbutan-2-ol is sourced from PubChem (CID 176955909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).