3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

C16H20N4O2 — CID 120573008

IUPAC3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCNC(C)C3C)c(=O)n2c1
InChIInChI=1S/C16H20N4O2/c1-10-4-5-14-18-8-13(16(22)20(14)9-10)15(21)19-7-6-17-11(2)12(19)3/h4-5,8-9,11-12,17H,6-7H2,1-3H3
InChIKeyMMDKGOJAJSVWPB-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.83
Rot. Bonds1

About 3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 120573008) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID120573008
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCNC(C)C3C)c(=O)n2c1
InChIInChI=1S/C16H20N4O2/c1-10-4-5-14-18-8-13(16(22)20(14)9-10)15(21)19-7-6-17-11(2)12(19)3/h4-5,8-9,11-12,17H,6-7H2,1-3H3
InChIKeyMMDKGOJAJSVWPB-UHFFFAOYSA-N
XLogP0.83
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 120573008) is 3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(C(=O)N3CCNC(C)C3C)c(=O)n2c1.
What is the InChIKey of 3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MMDKGOJAJSVWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-4-5-14-18-8-13(16(22)20(14)9-10)15(21)19-7-6-17-11(2)12(19)3/h4-5,8-9,11-12,17H,6-7H2,1-3H3.
What are the key properties of 3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 300.36 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 120573008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).