1,2-dimethylpyrimidin-4-one;piperidine

C11H19N3O — CID 161227604

IUPAC1,2-dimethylpyrimidin-4-one;piperidine
SMILESC1CCNCC1.Cc1nc(=O)ccn1C
InChIInChI=1S/C6H8N2O.C5H11N/c1-5-7-6(9)3-4-8(5)2;1-2-4-6-5-3-1/h3-4H,1-2H3;6H,1-5H2
InChIKeyUYIDPKVCRMTIPG-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.85
Rot. Bonds

About 1,2-dimethylpyrimidin-4-one;piperidine

1,2-dimethylpyrimidin-4-one;piperidine (PubChem CID 161227604) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1,2-dimethylpyrimidin-4-one;piperidine.

Molecular Properties

Compound Name1,2-dimethylpyrimidin-4-one;piperidine
PubChem CID161227604
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1,2-dimethylpyrimidin-4-one;piperidine
SMILESC1CCNCC1.Cc1nc(=O)ccn1C
InChIInChI=1S/C6H8N2O.C5H11N/c1-5-7-6(9)3-4-8(5)2;1-2-4-6-5-3-1/h3-4H,1-2H3;6H,1-5H2
InChIKeyUYIDPKVCRMTIPG-UHFFFAOYSA-N
XLogP0.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 18726934
2-(Piperidin-4-yl)-3,4-dihydropyrimidin-4-one
CID 63362688
2-[(4-Methyl-1-piperazinyl)methyl]-4(3h)-pyrimidinone
CID 67216931
ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 91106069
ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 91221143
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 63362942
2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 63362943
2-(3-aminopropyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136345068
2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 136956373
4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136972676
2-ethyl-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 137008989

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrimidin-4-one;piperidine?
The IUPAC name of 1,2-dimethylpyrimidin-4-one;piperidine (CID 161227604) is 1,2-dimethylpyrimidin-4-one;piperidine.
What is the SMILES notation for 1,2-dimethylpyrimidin-4-one;piperidine?
The canonical SMILES for 1,2-dimethylpyrimidin-4-one;piperidine is C1CCNCC1.Cc1nc(=O)ccn1C.
What is the InChIKey of 1,2-dimethylpyrimidin-4-one;piperidine?
The InChIKey is UYIDPKVCRMTIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.C5H11N/c1-5-7-6(9)3-4-8(5)2;1-2-4-6-5-3-1/h3-4H,1-2H3;6H,1-5H2.
What are the key properties of 1,2-dimethylpyrimidin-4-one;piperidine?
1,2-dimethylpyrimidin-4-one;piperidine has a molecular weight of 209.29 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrimidin-4-one;piperidine is sourced from PubChem (CID 161227604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).