2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine

C15H21N5O — CID 62744609

IUPAC2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c(C)nc(-c2ncccn2)nc1C
InChIInChI=1S/C15H21N5O/c1-11-13(5-8-16-9-10-21-3)12(2)20-15(19-11)14-17-6-4-7-18-14/h4,6-7,16H,5,8-10H2,1-3H3
InChIKeyMBPHTJJCYIODLO-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.33
Rot. Bonds7

About 2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine

2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 62744609) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID62744609
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c(C)nc(-c2ncccn2)nc1C
InChIInChI=1S/C15H21N5O/c1-11-13(5-8-16-9-10-21-3)12(2)20-15(19-11)14-17-6-4-7-18-14/h4,6-7,16H,5,8-10H2,1-3H3
InChIKeyMBPHTJJCYIODLO-UHFFFAOYSA-N
XLogP1.33
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 65198270
2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 65334731
N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 62746727
N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 63989399
2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 65329014
2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 116811010
N,N-diethyl-5-[3-(2-methoxyethylamino)propyl]-4,6-dimethylpyrimidin-2-amine
CID 62745099
2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 80630952
N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 102929117
N-(2-methoxyethyl)-2-pyrazin-2-ylethanamine
CID 63969445
2-methoxy-N-(2-pyrimidin-2-ylsulfanylethyl)ethanamine
CID 62579262
N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
CID 65304715

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine (CID 62744609) is 2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine is COCCNCCc1c(C)nc(-c2ncccn2)nc1C.
What is the InChIKey of 2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is MBPHTJJCYIODLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-13(5-8-16-9-10-21-3)12(2)20-15(19-11)14-17-6-4-7-18-14/h4,6-7,16H,5,8-10H2,1-3H3.
What are the key properties of 2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine?
2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 287.37 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 62744609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).