2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide

C9H8N4O2 — CID 139979697

IUPAC2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide
SMILESNC(=O)Cc1cnc2ncccn2c1=O
InChIInChI=1S/C9H8N4O2/c10-7(14)4-6-5-12-9-11-2-1-3-13(9)8(6)15/h1-3,5H,4H2,(H2,10,14)
InChIKeyVWDKXXCVLAVUDS-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.88
Rot. Bonds2

About 2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide

2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide (PubChem CID 139979697) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide
PubChem CID139979697
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide
SMILESNC(=O)Cc1cnc2ncccn2c1=O
InChIInChI=1S/C9H8N4O2/c10-7(14)4-6-5-12-9-11-2-1-3-13(9)8(6)15/h1-3,5H,4H2,(H2,10,14)
InChIKeyVWDKXXCVLAVUDS-UHFFFAOYSA-N
XLogP-0.88
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Oxopyrimido[1,2-a]pyrimidine-3-carboxamide
CID 22397234
2-(4-Oxopyrazino[1,2-a]pyrimidin-3-yl)acetamide
CID 139979752
2-Hydroxy-3-prop-2-enylpyrimido[1,2-a]pyrimidin-4-one
CID 135873141

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of 2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide (CID 139979697) is 2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for 2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide is NC(=O)Cc1cnc2ncccn2c1=O.
What is the InChIKey of 2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is VWDKXXCVLAVUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-7(14)4-6-5-12-9-11-2-1-3-13(9)8(6)15/h1-3,5H,4H2,(H2,10,14).
What are the key properties of 2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide?
2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 204.19 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 139979697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).