[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

C23H22N4O3S — CID 45275616

IUPAC[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESCc1ccc(-c2nc(N)c3cc(C(=O)c4cccc(CN5CCOCC5)c4)sc3n2)o1
InChIInChI=1S/C23H22N4O3S/c1-14-5-6-18(30-14)22-25-21(24)17-12-19(31-23(17)26-22)20(28)16-4-2-3-15(11-16)13-27-7-9-29-10-8-27/h2-6,11-12H,7-10,13H2,1H3,(H2,24,25,26)
InChIKeyBLGDRMWTJGLKKQ-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.91
Rot. Bonds5

About [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 45275616) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID45275616
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESCc1ccc(-c2nc(N)c3cc(C(=O)c4cccc(CN5CCOCC5)c4)sc3n2)o1
InChIInChI=1S/C23H22N4O3S/c1-14-5-6-18(30-14)22-25-21(24)17-12-19(31-23(17)26-22)20(28)16-4-2-3-15(11-16)13-27-7-9-29-10-8-27/h2-6,11-12H,7-10,13H2,1H3,(H2,24,25,26)
InChIKeyBLGDRMWTJGLKKQ-UHFFFAOYSA-N
XLogP3.91
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
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-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone (CID 45275616) is [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone is Cc1ccc(-c2nc(N)c3cc(C(=O)c4cccc(CN5CCOCC5)c4)sc3n2)o1.
What is the InChIKey of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is BLGDRMWTJGLKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-14-5-6-18(30-14)22-25-21(24)17-12-19(31-23(17)26-22)20(28)16-4-2-3-15(11-16)13-27-7-9-29-10-8-27/h2-6,11-12H,7-10,13H2,1H3,(H2,24,25,26).
What are the key properties of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 434.52 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 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-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 45275616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).