2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol

C14H15N3O2S — CID 83201653

IUPAC2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol
SMILESCNc1nc(-c2ccc(OC)c(O)c2)nc2c1CSC2
InChIInChI=1S/C14H15N3O2S/c1-15-14-9-6-20-7-10(9)16-13(17-14)8-3-4-12(19-2)11(18)5-8/h3-5,18H,6-7H2,1-2H3,(H,15,16,17)
InChIKeyODOLWJAYATVYOP-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.65
Rot. Bonds3

About 2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol

2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol (PubChem CID 83201653) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol
PubChem CID83201653
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol
SMILESCNc1nc(-c2ccc(OC)c(O)c2)nc2c1CSC2
InChIInChI=1S/C14H15N3O2S/c1-15-14-9-6-20-7-10(9)16-13(17-14)8-3-4-12(19-2)11(18)5-8/h3-5,18H,6-7H2,1-2H3,(H,15,16,17)
InChIKeyODOLWJAYATVYOP-UHFFFAOYSA-N
XLogP2.65
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol?
The IUPAC name of 2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol (CID 83201653) is 2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol is CNc1nc(-c2ccc(OC)c(O)c2)nc2c1CSC2.
What is the InChIKey of 2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol?
The InChIKey is ODOLWJAYATVYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-15-14-9-6-20-7-10(9)16-13(17-14)8-3-4-12(19-2)11(18)5-8/h3-5,18H,6-7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol?
2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol has a molecular weight of 289.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 83201653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).