4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine

C15H25N3O — CID 112637959

IUPAC4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(NC2CCC(CC)C2C)n1
InChIInChI=1S/C15H25N3O/c1-5-12-7-8-13(11(12)4)17-15-16-10(3)9-14(18-15)19-6-2/h9,11-13H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyUNXSJKVWVIXUQS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.42
Rot. Bonds5

About 4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine

4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine (PubChem CID 112637959) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine
PubChem CID112637959
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(NC2CCC(CC)C2C)n1
InChIInChI=1S/C15H25N3O/c1-5-12-7-8-13(11(12)4)17-15-16-10(3)9-14(18-15)19-6-2/h9,11-13H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyUNXSJKVWVIXUQS-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine (CID 112637959) is 4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine is CCOc1cc(C)nc(NC2CCC(CC)C2C)n1.
What is the InChIKey of 4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine?
The InChIKey is UNXSJKVWVIXUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-12-7-8-13(11(12)4)17-15-16-10(3)9-14(18-15)19-6-2/h9,11-13H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine?
4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112637959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).