[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol

C18H16N4O3S — CID 59279426

IUPAC[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol
SMILESCOc1cccnc1C(O)c1cc2c(N)nc(-c3ccc(C)o3)nc2s1
InChIInChI=1S/C18H16N4O3S/c1-9-5-6-12(25-9)17-21-16(19)10-8-13(26-18(10)22-17)15(23)14-11(24-2)4-3-7-20-14/h3-8,15,23H,1-2H3,(H2,19,21,22)
InChIKeyMJJJNVFRVVWWEJ-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.33
Rot. Bonds4

About [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol

[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol (PubChem CID 59279426) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol.

Molecular Properties

Compound Name[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol
PubChem CID59279426
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol
SMILESCOc1cccnc1C(O)c1cc2c(N)nc(-c3ccc(C)o3)nc2s1
InChIInChI=1S/C18H16N4O3S/c1-9-5-6-12(25-9)17-21-16(19)10-8-13(26-18(10)22-17)15(23)14-11(24-2)4-3-7-20-14/h3-8,15,23H,1-2H3,(H2,19,21,22)
InChIKeyMJJJNVFRVVWWEJ-UHFFFAOYSA-N
XLogP3.33
TPSA107.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol?
The IUPAC name of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol (CID 59279426) is [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol.
What is the SMILES notation for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol?
The canonical SMILES for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol is COc1cccnc1C(O)c1cc2c(N)nc(-c3ccc(C)o3)nc2s1.
What is the InChIKey of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol?
The InChIKey is MJJJNVFRVVWWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-9-5-6-12(25-9)17-21-16(19)10-8-13(26-18(10)22-17)15(23)14-11(24-2)4-3-7-20-14/h3-8,15,23H,1-2H3,(H2,19,21,22).
What are the key properties of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol?
[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol has a molecular weight of 368.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol is sourced from PubChem (CID 59279426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).