7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one

C17H24N4O2S — CID 118729754

IUPAC7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)C)nc2c(C3CCN(C(C)=O)C3)csc2c1=O
InChIInChI=1S/C17H24N4O2S/c1-5-21-16(23)15-14(19-17(21)18-10(2)3)13(9-24-15)12-6-7-20(8-12)11(4)22/h9-10,12H,5-8H2,1-4H3,(H,18,19)
InChIKeyDVPVUWXQEBKHDW-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.63
Rot. Bonds4

About 7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one

7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118729754) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
PubChem CID118729754
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)C)nc2c(C3CCN(C(C)=O)C3)csc2c1=O
InChIInChI=1S/C17H24N4O2S/c1-5-21-16(23)15-14(19-17(21)18-10(2)3)13(9-24-15)12-6-7-20(8-12)11(4)22/h9-10,12H,5-8H2,1-4H3,(H,18,19)
InChIKeyDVPVUWXQEBKHDW-UHFFFAOYSA-N
XLogP2.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one (CID 118729754) is 7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one is CCn1c(NC(C)C)nc2c(C3CCN(C(C)=O)C3)csc2c1=O.
What is the InChIKey of 7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is DVPVUWXQEBKHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-5-21-16(23)15-14(19-17(21)18-10(2)3)13(9-24-15)12-6-7-20(8-12)11(4)22/h9-10,12H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 348.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118729754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).