2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one

C14H19N3OS — CID 118719989

IUPAC2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCCC2)nc2ccsc2c1=O
InChIInChI=1S/C14H19N3OS/c1-2-17-13(18)12-11(8-9-19-12)16-14(17)15-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyAXODVDNTIXMZAV-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.22
Rot. Bonds3

About 2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one

2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one (PubChem CID 118719989) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
PubChem CID118719989
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCCC2)nc2ccsc2c1=O
InChIInChI=1S/C14H19N3OS/c1-2-17-13(18)12-11(8-9-19-12)16-14(17)15-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyAXODVDNTIXMZAV-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one (CID 118719989) is 2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one is CCn1c(NC2CCCCC2)nc2ccsc2c1=O.
What is the InChIKey of 2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is AXODVDNTIXMZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-17-13(18)12-11(8-9-19-12)16-14(17)15-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 277.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118719989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).