6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine

C12H21N3O — CID 116728869

IUPAC6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine
SMILESCCCC(OC)c1nc(CC)cc(NC)n1
InChIInChI=1S/C12H21N3O/c1-5-7-10(16-4)12-14-9(6-2)8-11(13-3)15-12/h8,10H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyZNXBHKUFSWHSTG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.57
Rot. Bonds6

About 6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine

6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine (PubChem CID 116728869) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine
PubChem CID116728869
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine
SMILESCCCC(OC)c1nc(CC)cc(NC)n1
InChIInChI=1S/C12H21N3O/c1-5-7-10(16-4)12-14-9(6-2)8-11(13-3)15-12/h8,10H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyZNXBHKUFSWHSTG-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-2-(1-methoxybutyl)-N,5-dimethylpyrimidin-4-amine
CID 116729190
[2-(1-methoxypropyl)-6-propylpyrimidin-4-yl]hydrazine
CID 116730308
2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
CID 116731205
[2-(1-ethoxybutyl)-6-propylpyrimidin-4-yl]hydrazine
CID 116730310
N,6-diethyl-2-(1-methoxyethyl)pyrimidin-4-amine
CID 79616612
[6-(methoxymethyl)-2-(1-methoxypropyl)pyrimidin-4-yl]hydrazine
CID 116730389
[2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
CID 116730454
5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 116729669
2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine
CID 116728648
6-ethyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
CID 62190576
2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
CID 116730198
6-ethyl-N-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 55045483

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine (CID 116728869) is 6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine is CCCC(OC)c1nc(CC)cc(NC)n1.
What is the InChIKey of 6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine?
The InChIKey is ZNXBHKUFSWHSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-7-10(16-4)12-14-9(6-2)8-11(13-3)15-12/h8,10H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine?
6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116728869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).