6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine

C13H23N3O2 — CID 80941132

IUPAC6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCCCOCCOc1cc(NC)nc(CC)n1
InChIInChI=1S/C13H23N3O2/c1-4-6-7-17-8-9-18-13-10-12(14-3)15-11(5-2)16-13/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyQKLLDJNMXUJBRE-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.28
Rot. Bonds9

About 6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine

6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80941132) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine
PubChem CID80941132
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCCCOCCOc1cc(NC)nc(CC)n1
InChIInChI=1S/C13H23N3O2/c1-4-6-7-17-8-9-18-13-10-12(14-3)15-11(5-2)16-13/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyQKLLDJNMXUJBRE-UHFFFAOYSA-N
XLogP2.28
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949615
2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 80941741
N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine
CID 103176424
6-butoxy-N-cycloheptyl-2-ethylpyrimidin-4-amine
CID 82454357
6-(2-methoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949765
[6-(2-butoxyethoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80909301
3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 113401644
4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933354
2-ethyl-N-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-4-amine
CID 80942065
6-(2-methoxyethoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456721
2-ethyl-N-methyl-6-octan-2-yloxypyrimidin-4-amine
CID 80942122
[6-[2-(3-methoxypropoxy)ethoxy]-2-propylpyrimidin-4-yl]hydrazine
CID 103176595

Frequently Asked Questions

What is the IUPAC name of 6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine (CID 80941132) is 6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine is CCCCOCCOc1cc(NC)nc(CC)n1.
What is the InChIKey of 6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is QKLLDJNMXUJBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-6-7-17-8-9-18-13-10-12(14-3)15-11(5-2)16-13/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine?
6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80941132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).