4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine

C15H28N4O3 — CID 44577443

IUPAC4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
SMILESCCOc1cc(OCCCN)nc(NCCCOC(C)C)n1
InChIInChI=1S/C15H28N4O3/c1-4-20-13-11-14(22-9-5-7-16)19-15(18-13)17-8-6-10-21-12(2)3/h11-12H,4-10,16H2,1-3H3,(H,17,18,19)
InChIKeySEWYBWWYSKIDKT-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.83
Rot. Bonds12

About 4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine

4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine (PubChem CID 44577443) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
PubChem CID44577443
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
SMILESCCOc1cc(OCCCN)nc(NCCCOC(C)C)n1
InChIInChI=1S/C15H28N4O3/c1-4-20-13-11-14(22-9-5-7-16)19-15(18-13)17-8-6-10-21-12(2)3/h11-12H,4-10,16H2,1-3H3,(H,17,18,19)
InChIKeySEWYBWWYSKIDKT-UHFFFAOYSA-N
XLogP1.83
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine (CID 44577443) is 4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine is CCOc1cc(OCCCN)nc(NCCCOC(C)C)n1.
What is the InChIKey of 4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
The InChIKey is SEWYBWWYSKIDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-4-20-13-11-14(22-9-5-7-16)19-15(18-13)17-8-6-10-21-12(2)3/h11-12H,4-10,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine has a molecular weight of 312.41 g/mol, XLogP of 1.83, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 44577443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).