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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Related Compounds

1-(3-methyl-4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl)ethyl methanesulfonate
CID 169155125
7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one
CID 169155375
2-[1-(3-methyl-4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl)ethylamino]benzoic acid
CID 169154724
8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one
CID 169155300
1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 110278091
3-methyl-2-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-one
CID 171999836
(1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol
CID 103431371
6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-piperidin-1-ylquinazolin-8-yl)ethylamino]pyridine-2-carboxylic acid
CID 169154789
8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170754048
1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid
CID 117189298
8-(1-aminoethyl)-3,6-dimethyl-2-(2-oxa-8-azaspiro[3.5]nonan-8-yl)quinazolin-4-one
CID 170753566
2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one
CID 169155288

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).