2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine

C14H23N3O3 — CID 103408390

IUPAC2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
SMILESCOCCOCCCOc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C14H23N3O3/c1-10-12(15)16-13(11-4-5-11)17-14(10)20-7-3-6-19-9-8-18-2/h11H,3-9H2,1-2H3,(H2,15,16,17)
InChIKeyGWCFVZYIQNSWBE-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.68
Rot. Bonds9

About 2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine

2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine (PubChem CID 103408390) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
PubChem CID103408390
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
SMILESCOCCOCCCOc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C14H23N3O3/c1-10-12(15)16-13(11-4-5-11)17-14(10)20-7-3-6-19-9-8-18-2/h11H,3-9H2,1-2H3,(H2,15,16,17)
InChIKeyGWCFVZYIQNSWBE-UHFFFAOYSA-N
XLogP1.68
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine (CID 103408390) is 2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine is COCCOCCCOc1nc(C2CC2)nc(N)c1C.
What is the InChIKey of 2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine?
The InChIKey is GWCFVZYIQNSWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10-12(15)16-13(11-4-5-11)17-14(10)20-7-3-6-19-9-8-18-2/h11H,3-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine?
2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 103408390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).