N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine

C12H11N3OS — CID 41131806

IUPACN-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2ccsc12)c1ccco1
InChIInChI=1S/C12H11N3OS/c1-8(10-3-2-5-16-10)15-12-11-9(4-6-17-11)13-7-14-12/h2-8H,1H3,(H,13,14,15)/t8-/m1/s1
InChIKeyZBYWOALXTKURIQ-MRVPVSSYSA-N
MW245.31 g/mol
LogP3.46
Rot. Bonds3

About N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine

N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 41131806) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID41131806
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2ccsc12)c1ccco1
InChIInChI=1S/C12H11N3OS/c1-8(10-3-2-5-16-10)15-12-11-9(4-6-17-11)13-7-14-12/h2-8H,1H3,(H,13,14,15)/t8-/m1/s1
InChIKeyZBYWOALXTKURIQ-MRVPVSSYSA-N
XLogP3.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine (CID 41131806) is N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2ccsc12)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ZBYWOALXTKURIQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-8(10-3-2-5-16-10)15-12-11-9(4-6-17-11)13-7-14-12/h2-8H,1H3,(H,13,14,15)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 245.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 41131806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).