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

C16H24N4OS — CID 118729749

IUPAC3-ethyl-7-piperidin-4-yl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)C)nc2c(C3CCNCC3)csc2c1=O
InChIInChI=1S/C16H24N4OS/c1-4-20-15(21)14-13(19-16(20)18-10(2)3)12(9-22-14)11-5-7-17-8-6-11/h9-11,17H,4-8H2,1-3H3,(H,18,19)
InChIKeyFXYQZLNVCGENKX-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.77
Rot. Bonds4

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

3-ethyl-7-piperidin-4-yl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118729749) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 3-ethyl-7-piperidin-4-yl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-7-piperidin-4-yl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
PubChem CID118729749
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name3-ethyl-7-piperidin-4-yl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)C)nc2c(C3CCNCC3)csc2c1=O
InChIInChI=1S/C16H24N4OS/c1-4-20-15(21)14-13(19-16(20)18-10(2)3)12(9-22-14)11-5-7-17-8-6-11/h9-11,17H,4-8H2,1-3H3,(H,18,19)
InChIKeyFXYQZLNVCGENKX-UHFFFAOYSA-N
XLogP2.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-piperidin-4-yl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-7-piperidin-4-yl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one (CID 118729749) is 3-ethyl-7-piperidin-4-yl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-7-piperidin-4-yl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-7-piperidin-4-yl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one is CCn1c(NC(C)C)nc2c(C3CCNCC3)csc2c1=O.
What is the InChIKey of 3-ethyl-7-piperidin-4-yl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is FXYQZLNVCGENKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-4-20-15(21)14-13(19-16(20)18-10(2)3)12(9-22-14)11-5-7-17-8-6-11/h9-11,17H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 3-ethyl-7-piperidin-4-yl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
3-ethyl-7-piperidin-4-yl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 320.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-piperidin-4-yl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118729749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).