2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine

C12H21N3O — CID 62745007

IUPAC2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine
SMILESCOCCNCc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-9(2)12-14-10(3)7-11(15-12)8-13-5-6-16-4/h7,9,13H,5-6,8H2,1-4H3
InChIKeyFECBKMUOHDAYFY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.64
Rot. Bonds6

About 2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine

2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine (PubChem CID 62745007) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine
PubChem CID62745007
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine
SMILESCOCCNCc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-9(2)12-14-10(3)7-11(15-12)8-13-5-6-16-4/h7,9,13H,5-6,8H2,1-4H3
InChIKeyFECBKMUOHDAYFY-UHFFFAOYSA-N
XLogP1.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.64
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

2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
CID 116731205
N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83030494
N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62746066
N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 65138090
2-methoxy-N-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62744312
2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
CID 62745005
2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65334028
N'-(2-methoxyethyl)-N'-methyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 55126677
2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine
CID 82452119
3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-propylbutan-2-amine
CID 55162008
4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
CID 114221034
N-(2-methoxyethyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 51074345

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine (CID 62745007) is 2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine is COCCNCc1cc(C)nc(C(C)C)n1.
What is the InChIKey of 2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine?
The InChIKey is FECBKMUOHDAYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)12-14-10(3)7-11(15-12)8-13-5-6-16-4/h7,9,13H,5-6,8H2,1-4H3.
What are the key properties of 2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine?
2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 62745007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).