[5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate

C16H18N4O3S — CID 68633408

IUPAC[5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate
SMILESCc1ccc(-c2nc(C(C)(C)C)nc3sc(OC(N)=O)c(N)c23)o1
InChIInChI=1S/C16H18N4O3S/c1-7-5-6-8(22-7)11-9-10(17)13(23-15(18)21)24-12(9)20-14(19-11)16(2,3)4/h5-6H,17H2,1-4H3,(H2,18,21)
InChIKeyCIMMODDZURDLKW-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.60
Rot. Bonds2

About [5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate

[5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate (PubChem CID 68633408) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is [5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate.

Molecular Properties

Compound Name[5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate
PubChem CID68633408
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name[5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate
SMILESCc1ccc(-c2nc(C(C)(C)C)nc3sc(OC(N)=O)c(N)c23)o1
InChIInChI=1S/C16H18N4O3S/c1-7-5-6-8(22-7)11-9-10(17)13(23-15(18)21)24-12(9)20-14(19-11)16(2,3)4/h5-6H,17H2,1-4H3,(H2,18,21)
InChIKeyCIMMODDZURDLKW-UHFFFAOYSA-N
XLogP3.60
TPSA117.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate?
The IUPAC name of [5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate (CID 68633408) is [5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate.
What is the SMILES notation for [5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate?
The canonical SMILES for [5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate is Cc1ccc(-c2nc(C(C)(C)C)nc3sc(OC(N)=O)c(N)c23)o1.
What is the InChIKey of [5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate?
The InChIKey is CIMMODDZURDLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-7-5-6-8(22-7)11-9-10(17)13(23-15(18)21)24-12(9)20-14(19-11)16(2,3)4/h5-6H,17H2,1-4H3,(H2,18,21).
What are the key properties of [5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate?
[5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate has a molecular weight of 346.41 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate is sourced from PubChem (CID 68633408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).