3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one

C17H20N4O2S — CID 118729747

IUPAC3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)C)nc2c(-c3ccnc(OC)c3)csc2c1=O
InChIInChI=1S/C17H20N4O2S/c1-5-21-16(22)15-14(20-17(21)19-10(2)3)12(9-24-15)11-6-7-18-13(8-11)23-4/h6-10H,5H2,1-4H3,(H,19,20)
InChIKeyKRKCXJIRRPKWPM-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.37
Rot. Bonds5

About 3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one

3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118729747) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
PubChem CID118729747
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)C)nc2c(-c3ccnc(OC)c3)csc2c1=O
InChIInChI=1S/C17H20N4O2S/c1-5-21-16(22)15-14(20-17(21)19-10(2)3)12(9-24-15)11-6-7-18-13(8-11)23-4/h6-10H,5H2,1-4H3,(H,19,20)
InChIKeyKRKCXJIRRPKWPM-UHFFFAOYSA-N
XLogP3.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one (CID 118729747) is 3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one is CCn1c(NC(C)C)nc2c(-c3ccnc(OC)c3)csc2c1=O.
What is the InChIKey of 3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is KRKCXJIRRPKWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-5-21-16(22)15-14(20-17(21)19-10(2)3)12(9-24-15)11-6-7-18-13(8-11)23-4/h6-10H,5H2,1-4H3,(H,19,20).
What are the key properties of 3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 344.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-(2-methoxy-4-pyridinyl)-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118729747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).