4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one

C13H20N4O2 — CID 56708810

IUPAC4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one
SMILESCOCc1ncc(CN2CCN(C)C(=O)C2C)cn1
InChIInChI=1S/C13H20N4O2/c1-10-13(18)16(2)4-5-17(10)8-11-6-14-12(9-19-3)15-7-11/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyYHMOLMHHTBDXTO-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.29
Rot. Bonds4

About 4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one

4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one (PubChem CID 56708810) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one
PubChem CID56708810
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one
SMILESCOCc1ncc(CN2CCN(C)C(=O)C2C)cn1
InChIInChI=1S/C13H20N4O2/c1-10-13(18)16(2)4-5-17(10)8-11-6-14-12(9-19-3)15-7-11/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyYHMOLMHHTBDXTO-UHFFFAOYSA-N
XLogP0.29
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Aminopyrimidin-5-yl)-3-morpholin-4-yl-1-propylpyrazin-2-one
CID 168275240
1,3-Dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one
CID 56702941
N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 56711897
(2R*,6S*)-4-[(2-ethyl-5-pyrimidinyl)carbonyl]-2,6-dimethylmorpholine
CID 72861818
N,2-diethyl-N-(2-methoxyethyl)-5-pyrimidinecarboxamide
CID 72871529
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine
CID 73440651
1-Morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 75369968
2-[4-(5-Methylpyrimidin-2-yl)piperazin-1-yl]propanamide
CID 75433516
2-Ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine
CID 95857239
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 95857248
1-(4-Methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone
CID 56799664
2-[2-methoxyethyl(pyrimidin-2-yl)amino]-N,N-dimethylacetamide
CID 71981404

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one (CID 56708810) is 4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one is COCc1ncc(CN2CCN(C)C(=O)C2C)cn1.
What is the InChIKey of 4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one?
The InChIKey is YHMOLMHHTBDXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-13(18)16(2)4-5-17(10)8-11-6-14-12(9-19-3)15-7-11/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one?
4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 56708810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).