6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine

C15H27N3O — CID 82458025

IUPAC6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1cc(OCC)nc(CC(C)C)n1
InChIInChI=1S/C15H27N3O/c1-5-7-8-9-16-13-11-15(19-6-2)18-14(17-13)10-12(3)4/h11-12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyFBYKKUZUEZAQRD-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.68
Rot. Bonds9

About 6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine

6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine (PubChem CID 82458025) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
PubChem CID82458025
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1cc(OCC)nc(CC(C)C)n1
InChIInChI=1S/C15H27N3O/c1-5-7-8-9-16-13-11-15(19-6-2)18-14(17-13)10-12(3)4/h11-12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyFBYKKUZUEZAQRD-UHFFFAOYSA-N
XLogP3.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.68
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

6-methoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82457982
6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458095
6-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 91405018
6-butoxy-2-(2-methylpropyl)-N-prop-2-enylpyrimidin-4-amine
CID 82458102
6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
CID 82454392
N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine
CID 82457973
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 82457974
N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82457964
N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
CID 82456662
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427
6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
CID 82454415

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine (CID 82458025) is 6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine is CCCCCNc1cc(OCC)nc(CC(C)C)n1.
What is the InChIKey of 6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine?
The InChIKey is FBYKKUZUEZAQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-7-8-9-16-13-11-15(19-6-2)18-14(17-13)10-12(3)4/h11-12H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of 6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine?
6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine is sourced from PubChem (CID 82458025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).