N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

C15H17N3OS — CID 104806560

IUPACN-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2occc2C)nc2sc(C)c(C)c12
InChIInChI=1S/C15H17N3OS/c1-5-16-13-11-9(3)10(4)20-15(11)18-14(17-13)12-8(2)6-7-19-12/h6-7H,5H2,1-4H3,(H,16,17,18)
InChIKeyIADQJRRVLVMWSL-UHFFFAOYSA-N
MW287.39 g/mol
LogP4.31
Rot. Bonds3

About N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 104806560) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID104806560
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2occc2C)nc2sc(C)c(C)c12
InChIInChI=1S/C15H17N3OS/c1-5-16-13-11-9(3)10(4)20-15(11)18-14(17-13)12-8(2)6-7-19-12/h6-7H,5H2,1-4H3,(H,16,17,18)
InChIKeyIADQJRRVLVMWSL-UHFFFAOYSA-N
XLogP4.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 104806560) is N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(-c2occc2C)nc2sc(C)c(C)c12.
What is the InChIKey of N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IADQJRRVLVMWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-5-16-13-11-9(3)10(4)20-15(11)18-14(17-13)12-8(2)6-7-19-12/h6-7H,5H2,1-4H3,(H,16,17,18).
What are the key properties of N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 287.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 104806560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).