[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol

C22H22N4O2S — CID 59278068

IUPAC[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol
SMILESCc1cccc(-c2nc(N)c3cc(C(O)c4cccnc4OC(C)C)sc3n2)c1
InChIInChI=1S/C22H22N4O2S/c1-12(2)28-21-15(8-5-9-24-21)18(27)17-11-16-19(23)25-20(26-22(16)29-17)14-7-4-6-13(3)10-14/h4-12,18,27H,1-3H3,(H2,23,25,26)
InChIKeyGACGHSYGPJMAGB-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.51
Rot. Bonds5

About [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol

[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol (PubChem CID 59278068) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol
PubChem CID59278068
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol
SMILESCc1cccc(-c2nc(N)c3cc(C(O)c4cccnc4OC(C)C)sc3n2)c1
InChIInChI=1S/C22H22N4O2S/c1-12(2)28-21-15(8-5-9-24-21)18(27)17-11-16-19(23)25-20(26-22(16)29-17)14-7-4-6-13(3)10-14/h4-12,18,27H,1-3H3,(H2,23,25,26)
InChIKeyGACGHSYGPJMAGB-UHFFFAOYSA-N
XLogP4.51
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol?
The IUPAC name of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol (CID 59278068) is [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol.
What is the SMILES notation for [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol?
The canonical SMILES for [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol is Cc1cccc(-c2nc(N)c3cc(C(O)c4cccnc4OC(C)C)sc3n2)c1.
What is the InChIKey of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol?
The InChIKey is GACGHSYGPJMAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-12(2)28-21-15(8-5-9-24-21)18(27)17-11-16-19(23)25-20(26-22(16)29-17)14-7-4-6-13(3)10-14/h4-12,18,27H,1-3H3,(H2,23,25,26).
What are the key properties of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol?
[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol has a molecular weight of 406.51 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-propan-2-yloxy-3-pyridinyl)methanol is sourced from PubChem (CID 59278068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).