2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C20H19N3OS — CID 91964816

IUPAC2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccco3)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C20H19N3OS/c1-2-16-12-17-19(21-13-15-9-6-10-24-15)22-18(23-20(17)25-16)11-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,21,22,23)
InChIKeyVVFSRBSQWOQVAK-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.05
Rot. Bonds6

About 2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 91964816) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID91964816
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccco3)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C20H19N3OS/c1-2-16-12-17-19(21-13-15-9-6-10-24-15)22-18(23-20(17)25-16)11-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,21,22,23)
InChIKeyVVFSRBSQWOQVAK-UHFFFAOYSA-N
XLogP5.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 91964816) is 2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCc3ccco3)nc(Cc3ccccc3)nc2s1.
What is the InChIKey of 2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VVFSRBSQWOQVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-2-16-12-17-19(21-13-15-9-6-10-24-15)22-18(23-20(17)25-16)11-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,21,22,23).
What are the key properties of 2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 349.46 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91964816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).