6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one

C14H15Cl2N3O3S — CID 14050409

IUPAC6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=C(CC1NCCCC1O)Cn1cnc2c(Cl)c(Cl)sc2c1=O
InChIInChI=1S/C14H15Cl2N3O3S/c15-10-11-12(23-13(10)16)14(22)19(6-18-11)5-7(20)4-8-9(21)2-1-3-17-8/h6,8-9,17,21H,1-5H2
InChIKeyMXSRVDYRABBABX-UHFFFAOYSA-N
MW376.27 g/mol
LogP1.84
Rot. Bonds4

About 6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one

6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 14050409) has the molecular formula C14H15Cl2N3O3S and a molecular weight of 376.27 g/mol. Its IUPAC name is 6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID14050409
Molecular FormulaC14H15Cl2N3O3S
Molecular Weight376.27 g/mol
Exact Mass375.02
IUPAC Name6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=C(CC1NCCCC1O)Cn1cnc2c(Cl)c(Cl)sc2c1=O
InChIInChI=1S/C14H15Cl2N3O3S/c15-10-11-12(23-13(10)16)14(22)19(6-18-11)5-7(20)4-8-9(21)2-1-3-17-8/h6,8-9,17,21H,1-5H2
InChIKeyMXSRVDYRABBABX-UHFFFAOYSA-N
XLogP1.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one (CID 14050409) is 6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one is O=C(CC1NCCCC1O)Cn1cnc2c(Cl)c(Cl)sc2c1=O.
What is the InChIKey of 6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is MXSRVDYRABBABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3S/c15-10-11-12(23-13(10)16)14(22)19(6-18-11)5-7(20)4-8-9(21)2-1-3-17-8/h6,8-9,17,21H,1-5H2.
What are the key properties of 6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one?
6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 376.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 14050409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).