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

C18H26N4O2S — CID 118729752

IUPAC7-(1-acetylpiperidin-4-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)C)nc2c(C3CCN(C(C)=O)CC3)csc2c1=O
InChIInChI=1S/C18H26N4O2S/c1-5-22-17(24)16-15(20-18(22)19-11(2)3)14(10-25-16)13-6-8-21(9-7-13)12(4)23/h10-11,13H,5-9H2,1-4H3,(H,19,20)
InChIKeyGZJQETCJNBYJSI-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.02
Rot. Bonds4

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

7-(1-acetylpiperidin-4-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118729752) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 7-(1-acetylpiperidin-4-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-acetylpiperidin-4-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
PubChem CID118729752
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name7-(1-acetylpiperidin-4-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)C)nc2c(C3CCN(C(C)=O)CC3)csc2c1=O
InChIInChI=1S/C18H26N4O2S/c1-5-22-17(24)16-15(20-18(22)19-11(2)3)14(10-25-16)13-6-8-21(9-7-13)12(4)23/h10-11,13H,5-9H2,1-4H3,(H,19,20)
InChIKeyGZJQETCJNBYJSI-UHFFFAOYSA-N
XLogP3.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-acetylpiperidin-4-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(1-acetylpiperidin-4-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one (CID 118729752) is 7-(1-acetylpiperidin-4-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(1-acetylpiperidin-4-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(1-acetylpiperidin-4-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one is CCn1c(NC(C)C)nc2c(C3CCN(C(C)=O)CC3)csc2c1=O.
What is the InChIKey of 7-(1-acetylpiperidin-4-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is GZJQETCJNBYJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-5-22-17(24)16-15(20-18(22)19-11(2)3)14(10-25-16)13-6-8-21(9-7-13)12(4)23/h10-11,13H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 7-(1-acetylpiperidin-4-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one?
7-(1-acetylpiperidin-4-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 362.50 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-acetylpiperidin-4-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118729752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).