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

C19H30N4OS — CID 118729750

IUPAC3-ethyl-2-(propan-2-ylamino)-7-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)C)nc2c(C3CCN(C(C)C)CC3)csc2c1=O
InChIInChI=1S/C19H30N4OS/c1-6-23-18(24)17-16(21-19(23)20-12(2)3)15(11-25-17)14-7-9-22(10-8-14)13(4)5/h11-14H,6-10H2,1-5H3,(H,20,21)
InChIKeyYNGPOAAIQGLOLT-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.89
Rot. Bonds5

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

3-ethyl-2-(propan-2-ylamino)-7-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118729750) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is 3-ethyl-2-(propan-2-ylamino)-7-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(propan-2-ylamino)-7-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-one
PubChem CID118729750
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name3-ethyl-2-(propan-2-ylamino)-7-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC(C)C)nc2c(C3CCN(C(C)C)CC3)csc2c1=O
InChIInChI=1S/C19H30N4OS/c1-6-23-18(24)17-16(21-19(23)20-12(2)3)15(11-25-17)14-7-9-22(10-8-14)13(4)5/h11-14H,6-10H2,1-5H3,(H,20,21)
InChIKeyYNGPOAAIQGLOLT-UHFFFAOYSA-N
XLogP3.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(propan-2-ylamino)-7-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-(propan-2-ylamino)-7-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-one (CID 118729750) is 3-ethyl-2-(propan-2-ylamino)-7-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-(propan-2-ylamino)-7-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-(propan-2-ylamino)-7-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-one is CCn1c(NC(C)C)nc2c(C3CCN(C(C)C)CC3)csc2c1=O.
What is the InChIKey of 3-ethyl-2-(propan-2-ylamino)-7-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YNGPOAAIQGLOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-6-23-18(24)17-16(21-19(23)20-12(2)3)15(11-25-17)14-7-9-22(10-8-14)13(4)5/h11-14H,6-10H2,1-5H3,(H,20,21).
What are the key properties of 3-ethyl-2-(propan-2-ylamino)-7-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-(propan-2-ylamino)-7-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 362.54 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(propan-2-ylamino)-7-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118729750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).