7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one

C14H19N3O2S — CID 169154506

IUPAC7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one
SMILESCC(O)c1csc2c(=O)n(C)c(N3CCCCC3)nc12
InChIInChI=1S/C14H19N3O2S/c1-9(18)10-8-20-12-11(10)15-14(16(2)13(12)19)17-6-4-3-5-7-17/h8-9,18H,3-7H2,1-2H3
InChIKeyMPJFQVQRWKGOQN-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.04
Rot. Bonds2

About 7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one

7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one (PubChem CID 169154506) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one
PubChem CID169154506
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one
SMILESCC(O)c1csc2c(=O)n(C)c(N3CCCCC3)nc12
InChIInChI=1S/C14H19N3O2S/c1-9(18)10-8-20-12-11(10)15-14(16(2)13(12)19)17-6-4-3-5-7-17/h8-9,18H,3-7H2,1-2H3
InChIKeyMPJFQVQRWKGOQN-UHFFFAOYSA-N
XLogP2.04
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one (CID 169154506) is 7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one is CC(O)c1csc2c(=O)n(C)c(N3CCCCC3)nc12.
What is the InChIKey of 7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is MPJFQVQRWKGOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9(18)10-8-20-12-11(10)15-14(16(2)13(12)19)17-6-4-3-5-7-17/h8-9,18H,3-7H2,1-2H3.
What are the key properties of 7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one?
7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 293.39 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 169154506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).