4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one

C12H16N4O2 — CID 165025452

IUPAC4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
SMILESCC1OC(=O)Nc2ncnc(N3CCCCC3)c21
InChIInChI=1S/C12H16N4O2/c1-8-9-10(15-12(17)18-8)13-7-14-11(9)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H,13,14,15,17)
InChIKeyMZVIQJGUHVOBSS-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.09
Rot. Bonds1

About 4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one

4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one (PubChem CID 165025452) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
PubChem CID165025452
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
SMILESCC1OC(=O)Nc2ncnc(N3CCCCC3)c21
InChIInChI=1S/C12H16N4O2/c1-8-9-10(15-12(17)18-8)13-7-14-11(9)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H,13,14,15,17)
InChIKeyMZVIQJGUHVOBSS-UHFFFAOYSA-N
XLogP2.09
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
The IUPAC name of 4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one (CID 165025452) is 4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one.
What is the SMILES notation for 4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
The canonical SMILES for 4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one is CC1OC(=O)Nc2ncnc(N3CCCCC3)c21.
What is the InChIKey of 4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
The InChIKey is MZVIQJGUHVOBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-9-10(15-12(17)18-8)13-7-14-11(9)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H,13,14,15,17).
What are the key properties of 4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one has a molecular weight of 248.29 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-piperidin-1-yl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one is sourced from PubChem (CID 165025452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).