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2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide

C17H16N4O2S — CID 121165926

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NCc2ccnc(-c3ccsc3)c2)cn1
InChIInChI=1S/C17H16N4O2S/c1-12-6-17(23)21(11-20-12)9-16(22)19-8-13-2-4-18-15(7-13)14-3-5-24-10-14/h2-7,10-11H,8-9H2,1H3,(H,19,22)
InChIKeyDRBXORQGOWKRRJ-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.99
Rot. Bonds5

About 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide

2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide (PubChem CID 121165926) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
PubChem CID121165926
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NCc2ccnc(-c3ccsc3)c2)cn1
InChIInChI=1S/C17H16N4O2S/c1-12-6-17(23)21(11-20-12)9-16(22)19-8-13-2-4-18-15(7-13)14-3-5-24-10-14/h2-7,10-11H,8-9H2,1H3,(H,19,22)
InChIKeyDRBXORQGOWKRRJ-UHFFFAOYSA-N
XLogP1.99
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide (CID 121165926) is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide is Cc1cc(=O)n(CC(=O)NCc2ccnc(-c3ccsc3)c2)cn1.
What is the InChIKey of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is DRBXORQGOWKRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-12-6-17(23)21(11-20-12)9-16(22)19-8-13-2-4-18-15(7-13)14-3-5-24-10-14/h2-7,10-11H,8-9H2,1H3,(H,19,22).
What are the key properties of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 340.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 121165926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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