N-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine

C13H23N3O — CID 116778643

IUPACN-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(C(C)(CC)OC)n1
InChIInChI=1S/C13H23N3O/c1-6-13(4,17-5)12-15-10(3)8-11(16-12)9-14-7-2/h8,14H,6-7,9H2,1-5H3
InChIKeyLFHCWIAJFTYROZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.17
Rot. Bonds6

About N-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine

N-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine (PubChem CID 116778643) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine
PubChem CID116778643
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(C(C)(CC)OC)n1
InChIInChI=1S/C13H23N3O/c1-6-13(4,17-5)12-15-10(3)8-11(16-12)9-14-7-2/h8,14H,6-7,9H2,1-5H3
InChIKeyLFHCWIAJFTYROZ-UHFFFAOYSA-N
XLogP2.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 116777510
N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
CID 62744975
2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine
CID 116775799
N-[(2-tert-butyl-6-methylpyrimidin-4-yl)methyl]-2-methylpropan-2-amine
CID 62746756
N-[(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 55114618
N-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine
CID 55114763
N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 62744634
N-[[6-methyl-2-(methylsulfonylmethyl)pyrimidin-4-yl]methyl]ethanamine
CID 62746741
4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol
CID 136889379
2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116775818
6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116775920
N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 104790819

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine (CID 116778643) is N-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine is CCNCc1cc(C)nc(C(C)(CC)OC)n1.
What is the InChIKey of N-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
The InChIKey is LFHCWIAJFTYROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-13(4,17-5)12-15-10(3)8-11(16-12)9-14-7-2/h8,14H,6-7,9H2,1-5H3.
What are the key properties of N-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
N-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 116778643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).