2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C11H17N3OS — CID 116777321

IUPAC2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCC(C)(OC)c1nc(N)c2c(n1)CSC2
InChIInChI=1S/C11H17N3OS/c1-4-11(2,15-3)10-13-8-6-16-5-7(8)9(12)14-10/h4-6H2,1-3H3,(H2,12,13,14)
InChIKeySKVQCVGVKNEOLD-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.08
Rot. Bonds3

About 2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 116777321) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID116777321
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCC(C)(OC)c1nc(N)c2c(n1)CSC2
InChIInChI=1S/C11H17N3OS/c1-4-11(2,15-3)10-13-8-6-16-5-7(8)9(12)14-10/h4-6H2,1-3H3,(H2,12,13,14)
InChIKeySKVQCVGVKNEOLD-UHFFFAOYSA-N
XLogP2.08
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 116777321) is 2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCC(C)(OC)c1nc(N)c2c(n1)CSC2.
What is the InChIKey of 2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is SKVQCVGVKNEOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-4-11(2,15-3)10-13-8-6-16-5-7(8)9(12)14-10/h4-6H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 239.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 116777321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).