N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine

C16H21N3O — CID 62746727

IUPACN-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nc(-c2ccccc2)nc1C
InChIInChI=1S/C16H21N3O/c1-12-15(11-17-9-10-20-3)13(2)19-16(18-12)14-7-5-4-6-8-14/h4-8,17H,9-11H2,1-3H3
InChIKeySCNJGKCIHHFCKT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.50
Rot. Bonds6

About N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine

N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine (PubChem CID 62746727) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine
PubChem CID62746727
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nc(-c2ccccc2)nc1C
InChIInChI=1S/C16H21N3O/c1-12-15(11-17-9-10-20-3)13(2)19-16(18-12)14-7-5-4-6-8-14/h4-8,17H,9-11H2,1-3H3
InChIKeySCNJGKCIHHFCKT-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[(2-methoxyethylamino)methyl]-4,6-dimethylpyrimidin-2-yl]phenol
CID 107922151
N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 63989399
2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
CID 60955129
2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60646666
2-methoxy-N-[[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 102929127
5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine
CID 2223258
2-(4,6-dimethyl-2-pyrimidin-2-ylpyrimidin-5-yl)-N-(2-methoxyethyl)ethanamine
CID 62744609
2-methoxy-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine
CID 24714924
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
CID 28780758
N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62746066
1-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744615

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine (CID 62746727) is N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine is COCCNCc1c(C)nc(-c2ccccc2)nc1C.
What is the InChIKey of N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
The InChIKey is SCNJGKCIHHFCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-15(11-17-9-10-20-3)13(2)19-16(18-12)14-7-5-4-6-8-14/h4-8,17H,9-11H2,1-3H3.
What are the key properties of N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-phenylpyrimidin-5-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 62746727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).