[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol

C18H15N5OS — CID 59279446

IUPAC[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol
SMILESCc1cc(-c2nc(N)c3cc(C(O)c4ccccn4)sc3n2)ccn1
InChIInChI=1S/C18H15N5OS/c1-10-8-11(5-7-20-10)17-22-16(19)12-9-14(25-18(12)23-17)15(24)13-4-2-3-6-21-13/h2-9,15,24H,1H3,(H2,19,22,23)
InChIKeyVETRNAPREQFPPR-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.12
Rot. Bonds3

About [4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol

[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol (PubChem CID 59279446) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is [4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol
PubChem CID59279446
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol
SMILESCc1cc(-c2nc(N)c3cc(C(O)c4ccccn4)sc3n2)ccn1
InChIInChI=1S/C18H15N5OS/c1-10-8-11(5-7-20-10)17-22-16(19)12-9-14(25-18(12)23-17)15(24)13-4-2-3-6-21-13/h2-9,15,24H,1H3,(H2,19,22,23)
InChIKeyVETRNAPREQFPPR-UHFFFAOYSA-N
XLogP3.12
TPSA97.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.12
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-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol?
The IUPAC name of [4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol (CID 59279446) is [4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol is Cc1cc(-c2nc(N)c3cc(C(O)c4ccccn4)sc3n2)ccn1.
What is the InChIKey of [4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol?
The InChIKey is VETRNAPREQFPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-10-8-11(5-7-20-10)17-22-16(19)12-9-14(25-18(12)23-17)15(24)13-4-2-3-6-21-13/h2-9,15,24H,1H3,(H2,19,22,23).
What are the key properties of [4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol?
[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol has a molecular weight of 349.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 59279446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).