2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine

C13H23N3O — CID 116731574

IUPAC2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
SMILESCOC(c1nc(C)c(CCN)c(C)n1)C(C)C
InChIInChI=1S/C13H23N3O/c1-8(2)12(17-5)13-15-9(3)11(6-7-14)10(4)16-13/h8,12H,6-7,14H2,1-5H3
InChIKeyWZXUQPGGMWXAOR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.94
Rot. Bonds5

About 2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine

2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine (PubChem CID 116731574) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
PubChem CID116731574
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
SMILESCOC(c1nc(C)c(CCN)c(C)n1)C(C)C
InChIInChI=1S/C13H23N3O/c1-8(2)12(17-5)13-15-9(3)11(6-7-14)10(4)16-13/h8,12H,6-7,14H2,1-5H3
InChIKeyWZXUQPGGMWXAOR-UHFFFAOYSA-N
XLogP1.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 116731705
N-[2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
CID 116731696
N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731735
5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 116729227
[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 79604885
5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine
CID 116729353
N-ethyl-2-(1-methoxy-2-methylpropyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116729084
1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731306
ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
CID 102972388
4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine
CID 116706694
5-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 116702991
2-[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116702835

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine (CID 116731574) is 2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine is COC(c1nc(C)c(CCN)c(C)n1)C(C)C.
What is the InChIKey of 2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
The InChIKey is WZXUQPGGMWXAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(2)12(17-5)13-15-9(3)11(6-7-14)10(4)16-13/h8,12H,6-7,14H2,1-5H3.
What are the key properties of 2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine?
2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 116731574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).