4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid

C15H22N4O2 — CID 83180576

IUPAC4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(N2CC3CCCCN3CC2C)ncc1C(=O)O
InChIInChI=1S/C15H22N4O2/c1-10-8-18-6-4-3-5-12(18)9-19(10)15-16-7-13(14(20)21)11(2)17-15/h7,10,12H,3-6,8-9H2,1-2H3,(H,20,21)
InChIKeyIWLNEIBOSYALJT-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.55
Rot. Bonds2

About 4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid

4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 83180576) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid
PubChem CID83180576
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(N2CC3CCCCN3CC2C)ncc1C(=O)O
InChIInChI=1S/C15H22N4O2/c1-10-8-18-6-4-3-5-12(18)9-19(10)15-16-7-13(14(20)21)11(2)17-15/h7,10,12H,3-6,8-9H2,1-2H3,(H,20,21)
InChIKeyIWLNEIBOSYALJT-UHFFFAOYSA-N
XLogP1.55
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid (CID 83180576) is 4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid is Cc1nc(N2CC3CCCCN3CC2C)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is IWLNEIBOSYALJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-8-18-6-4-3-5-12(18)9-19(10)15-16-7-13(14(20)21)11(2)17-15/h7,10,12H,3-6,8-9H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid?
4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83180576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).