[5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate

C16H17N5O4S — CID 68631893

IUPAC[5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate
SMILESCc1ccc(-c2nc(N3CCOCC3)nc3sc(OC(N)=O)c(N)c23)o1
InChIInChI=1S/C16H17N5O4S/c1-8-2-3-9(24-8)12-10-11(17)14(25-15(18)22)26-13(10)20-16(19-12)21-4-6-23-7-5-21/h2-3H,4-7,17H2,1H3,(H2,18,22)
InChIKeyVIXXLCGGVPLWLR-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.14
Rot. Bonds3

About [5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate

[5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate (PubChem CID 68631893) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is [5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate.

Molecular Properties

Compound Name[5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate
PubChem CID68631893
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC Name[5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate
SMILESCc1ccc(-c2nc(N3CCOCC3)nc3sc(OC(N)=O)c(N)c23)o1
InChIInChI=1S/C16H17N5O4S/c1-8-2-3-9(24-8)12-10-11(17)14(25-15(18)22)26-13(10)20-16(19-12)21-4-6-23-7-5-21/h2-3H,4-7,17H2,1H3,(H2,18,22)
InChIKeyVIXXLCGGVPLWLR-UHFFFAOYSA-N
XLogP2.14
TPSA129.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate?
The IUPAC name of [5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate (CID 68631893) is [5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate.
What is the SMILES notation for [5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate?
The canonical SMILES for [5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate is Cc1ccc(-c2nc(N3CCOCC3)nc3sc(OC(N)=O)c(N)c23)o1.
What is the InChIKey of [5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate?
The InChIKey is VIXXLCGGVPLWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-8-2-3-9(24-8)12-10-11(17)14(25-15(18)22)26-13(10)20-16(19-12)21-4-6-23-7-5-21/h2-3H,4-7,17H2,1H3,(H2,18,22).
What are the key properties of [5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate?
[5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate has a molecular weight of 375.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate is sourced from PubChem (CID 68631893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).