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

C19H17N3O3S — CID 45136851

IUPAC[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)c1cc2c(N)nc(-c3ccc(C)o3)nc2s1
InChIInChI=1S/C19H17N3O3S/c1-10-7-8-14(25-10)18-21-17(20)12-9-15(26-19(12)22-18)16(23)11-5-3-4-6-13(11)24-2/h3-9,16,23H,1-2H3,(H2,20,21,22)
InChIKeyHTMWEEDOEVAABV-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.93
Rot. Bonds4

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

[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol (PubChem CID 45136851) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol.

Molecular Properties

Compound Name[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol
PubChem CID45136851
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)c1cc2c(N)nc(-c3ccc(C)o3)nc2s1
InChIInChI=1S/C19H17N3O3S/c1-10-7-8-14(25-10)18-21-17(20)12-9-15(26-19(12)22-18)16(23)11-5-3-4-6-13(11)24-2/h3-9,16,23H,1-2H3,(H2,20,21,22)
InChIKeyHTMWEEDOEVAABV-UHFFFAOYSA-N
XLogP3.93
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-(2-methoxyphenyl)methanol?
The IUPAC name of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol (CID 45136851) is [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol.
What is the SMILES notation for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol?
The canonical SMILES for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol is COc1ccccc1C(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]-(2-methoxyphenyl)methanol?
The InChIKey is HTMWEEDOEVAABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-10-7-8-14(25-10)18-21-17(20)12-9-15(26-19(12)22-18)16(23)11-5-3-4-6-13(11)24-2/h3-9,16,23H,1-2H3,(H2,20,21,22).
What are the key properties of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol?
[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol has a molecular weight of 367.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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]-(2-methoxyphenyl)methanol is sourced from PubChem (CID 45136851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).