2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one

C15H20N4O2 — CID 136914590

IUPAC2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
SMILESCOCCNCc1cc(=O)[nH]c(-c2ncc(C)cc2C)n1
InChIInChI=1S/C15H20N4O2/c1-10-6-11(2)14(17-8-10)15-18-12(7-13(20)19-15)9-16-4-5-21-3/h6-8,16H,4-5,9H2,1-3H3,(H,18,19,20)
InChIKeyNLBNQRIUTPPPJZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.18
Rot. Bonds6

About 2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one

2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 136914590) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
PubChem CID136914590
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
SMILESCOCCNCc1cc(=O)[nH]c(-c2ncc(C)cc2C)n1
InChIInChI=1S/C15H20N4O2/c1-10-6-11(2)14(17-8-10)15-18-12(7-13(20)19-15)9-16-4-5-21-3/h6-8,16H,4-5,9H2,1-3H3,(H,18,19,20)
InChIKeyNLBNQRIUTPPPJZ-UHFFFAOYSA-N
XLogP1.18
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one
CID 136914532
N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 113405525
2-(3-bromo-4-methoxyphenyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136827172
3-[(2-methoxyethylamino)methyl]-6-(4-methylphenyl)-1H-pyridin-2-one
CID 82520963
2-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136852167
2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine
CID 82448512
2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62745007
N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65287872
2-(1-methylsulfonylethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136955107
6-(3,4-dimethylphenyl)-3-[(2-methoxyethylamino)methyl]-1H-pyridin-2-one
CID 82520167
2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335149
3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one
CID 155952053

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one (CID 136914590) is 2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one is COCCNCc1cc(=O)[nH]c(-c2ncc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is NLBNQRIUTPPPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-6-11(2)14(17-8-10)15-18-12(7-13(20)19-15)9-16-4-5-21-3/h6-8,16H,4-5,9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one?
2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 288.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-pyridinyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136914590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).