2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol

C11H15ClFN3OS — CID 59708469

IUPAC2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol
SMILESCC(C)(F)C(CO)Nc1nc(Cl)nc2c1SCC2
InChIInChI=1S/C11H15ClFN3OS/c1-11(2,13)7(5-17)15-9-8-6(3-4-18-8)14-10(12)16-9/h7,17H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyMIMDWCXCQBFCCD-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.30
Rot. Bonds4

About 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol

2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol (PubChem CID 59708469) has the molecular formula C11H15ClFN3OS and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol
PubChem CID59708469
Molecular FormulaC11H15ClFN3OS
Molecular Weight291.78 g/mol
Exact Mass291.06
IUPAC Name2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol
SMILESCC(C)(F)C(CO)Nc1nc(Cl)nc2c1SCC2
InChIInChI=1S/C11H15ClFN3OS/c1-11(2,13)7(5-17)15-9-8-6(3-4-18-8)14-10(12)16-9/h7,17H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyMIMDWCXCQBFCCD-UHFFFAOYSA-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 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol?
The IUPAC name of 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol (CID 59708469) is 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol?
The canonical SMILES for 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol is CC(C)(F)C(CO)Nc1nc(Cl)nc2c1SCC2.
What is the InChIKey of 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol?
The InChIKey is MIMDWCXCQBFCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3OS/c1-11(2,13)7(5-17)15-9-8-6(3-4-18-8)14-10(12)16-9/h7,17H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol?
2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-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 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-fluoro-3-methylbutan-1-ol is sourced from PubChem (CID 59708469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).