6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one

C16H17N5O2S — CID 134810542

IUPAC6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one
SMILESCn1cc(-c2ccsc2)c2nc(CN3CCNC(=O)C3)cn2c1=O
InChIInChI=1S/C16H17N5O2S/c1-19-8-13(11-2-5-24-10-11)15-18-12(7-21(15)16(19)23)6-20-4-3-17-14(22)9-20/h2,5,7-8,10H,3-4,6,9H2,1H3,(H,17,22)
InChIKeyLHSRRODRMFSNBX-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.69
Rot. Bonds3

About 6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one

6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one (PubChem CID 134810542) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one
PubChem CID134810542
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one
SMILESCn1cc(-c2ccsc2)c2nc(CN3CCNC(=O)C3)cn2c1=O
InChIInChI=1S/C16H17N5O2S/c1-19-8-13(11-2-5-24-10-11)15-18-12(7-21(15)16(19)23)6-20-4-3-17-14(22)9-20/h2,5,7-8,10H,3-4,6,9H2,1H3,(H,17,22)
InChIKeyLHSRRODRMFSNBX-UHFFFAOYSA-N
XLogP0.69
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one (CID 134810542) is 6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one is Cn1cc(-c2ccsc2)c2nc(CN3CCNC(=O)C3)cn2c1=O.
What is the InChIKey of 6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is LHSRRODRMFSNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-19-8-13(11-2-5-24-10-11)15-18-12(7-21(15)16(19)23)6-20-4-3-17-14(22)9-20/h2,5,7-8,10H,3-4,6,9H2,1H3,(H,17,22).
What are the key properties of 6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one?
6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 343.41 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-oxopiperazin-1-yl)methyl]-8-thiophen-3-ylimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 134810542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).