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

C11H16ClN3OS — CID 58071597

IUPAC2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1nc(Cl)nc2c1SCC2
InChIInChI=1S/C11H16ClN3OS/c1-6(2)8(5-16)13-10-9-7(3-4-17-9)14-11(12)15-10/h6,8,16H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyOUTSEYOLVAKQLF-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.21
Rot. Bonds4

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

2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 58071597) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID58071597
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1nc(Cl)nc2c1SCC2
InChIInChI=1S/C11H16ClN3OS/c1-6(2)8(5-16)13-10-9-7(3-4-17-9)14-11(12)15-10/h6,8,16H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyOUTSEYOLVAKQLF-UHFFFAOYSA-N
XLogP2.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.21
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-methylbutan-1-ol?
The IUPAC name of 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-methylbutan-1-ol (CID 58071597) is 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-methylbutan-1-ol is CC(C)C(CO)Nc1nc(Cl)nc2c1SCC2.
What is the InChIKey of 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is OUTSEYOLVAKQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-6(2)8(5-16)13-10-9-7(3-4-17-9)14-11(12)15-10/h6,8,16H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-methylbutan-1-ol?
2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 273.79 g/mol, XLogP of 2.21, 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-methylbutan-1-ol is sourced from PubChem (CID 58071597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).