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

C12H19N3OS — CID 116777338

IUPAC2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCOC(C)(CC)c1nc(N)c2c(n1)CSC2
InChIInChI=1S/C12H19N3OS/c1-4-12(3,16-5-2)11-14-9-7-17-6-8(9)10(13)15-11/h4-7H2,1-3H3,(H2,13,14,15)
InChIKeyBRCMZUJRLFXSPR-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.47
Rot. Bonds4

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

2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 116777338) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID116777338
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCOC(C)(CC)c1nc(N)c2c(n1)CSC2
InChIInChI=1S/C12H19N3OS/c1-4-12(3,16-5-2)11-14-9-7-17-6-8(9)10(13)15-11/h4-7H2,1-3H3,(H2,13,14,15)
InChIKeyBRCMZUJRLFXSPR-UHFFFAOYSA-N
XLogP2.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 116777338) is 2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCOC(C)(CC)c1nc(N)c2c(n1)CSC2.
What is the InChIKey of 2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is BRCMZUJRLFXSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-12(3,16-5-2)11-14-9-7-17-6-8(9)10(13)15-11/h4-7H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 253.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 116777338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).