5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride

C17H25ClN4O2S — CID 119490382

IUPAC5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCNC1CCCN(C(=O)CCn2cnc3sc(C)c(C)c3c2=O)C1.Cl
InChIInChI=1S/C17H24N4O2S.ClH/c1-11-12(2)24-16-15(11)17(23)21(10-19-16)8-6-14(22)20-7-4-5-13(9-20)18-3;/h10,13,18H,4-9H2,1-3H3;1H
InChIKeyDYKDVERFJZWVFI-UHFFFAOYSA-N
MW384.93 g/mol
LogP2.10
Rot. Bonds4

About 5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride

5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride (PubChem CID 119490382) has the molecular formula C17H25ClN4O2S and a molecular weight of 384.93 g/mol. Its IUPAC name is 5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
PubChem CID119490382
Molecular FormulaC17H25ClN4O2S
Molecular Weight384.93 g/mol
Exact Mass384.14
IUPAC Name5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCNC1CCCN(C(=O)CCn2cnc3sc(C)c(C)c3c2=O)C1.Cl
InChIInChI=1S/C17H24N4O2S.ClH/c1-11-12(2)24-16-15(11)17(23)21(10-19-16)8-6-14(22)20-7-4-5-13(9-20)18-3;/h10,13,18H,4-9H2,1-3H3;1H
InChIKeyDYKDVERFJZWVFI-UHFFFAOYSA-N
XLogP2.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride (CID 119490382) is 5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride is CNC1CCCN(C(=O)CCn2cnc3sc(C)c(C)c3c2=O)C1.Cl.
What is the InChIKey of 5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride?
The InChIKey is DYKDVERFJZWVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S.ClH/c1-11-12(2)24-16-15(11)17(23)21(10-19-16)8-6-14(22)20-7-4-5-13(9-20)18-3;/h10,13,18H,4-9H2,1-3H3;1H.
What are the key properties of 5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride?
5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride has a molecular weight of 384.93 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 119490382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).