[4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol

C19H16N4O2S — CID 45274427

IUPAC[4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol
SMILESCOc1cc(-c2nc(N)c3cc(C(O)c4ccccc4)sc3n2)ccn1
InChIInChI=1S/C19H16N4O2S/c1-25-15-9-12(7-8-21-15)18-22-17(20)13-10-14(26-19(13)23-18)16(24)11-5-3-2-4-6-11/h2-10,16,24H,1H3,(H2,20,22,23)
InChIKeyLZEQMGQBSUDKBC-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.43
Rot. Bonds4

About [4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol

[4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol (PubChem CID 45274427) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is [4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol.

Molecular Properties

Compound Name[4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol
PubChem CID45274427
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name[4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol
SMILESCOc1cc(-c2nc(N)c3cc(C(O)c4ccccc4)sc3n2)ccn1
InChIInChI=1S/C19H16N4O2S/c1-25-15-9-12(7-8-21-15)18-22-17(20)13-10-14(26-19(13)23-18)16(24)11-5-3-2-4-6-11/h2-10,16,24H,1H3,(H2,20,22,23)
InChIKeyLZEQMGQBSUDKBC-UHFFFAOYSA-N
XLogP3.43
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol?
The IUPAC name of [4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol (CID 45274427) is [4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol.
What is the SMILES notation for [4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol?
The canonical SMILES for [4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol is COc1cc(-c2nc(N)c3cc(C(O)c4ccccc4)sc3n2)ccn1.
What is the InChIKey of [4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol?
The InChIKey is LZEQMGQBSUDKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-25-15-9-12(7-8-21-15)18-22-17(20)13-10-14(26-19(13)23-18)16(24)11-5-3-2-4-6-11/h2-10,16,24H,1H3,(H2,20,22,23).
What are the key properties of [4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol?
[4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol has a molecular weight of 364.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(2-methoxy-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol is sourced from PubChem (CID 45274427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).