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

C17H33N5O3 — CID 44577493

IUPAC2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
SMILESCC(C)OCCCNc1cc(OCCN(C)C)nc(OCCCN)n1
InChIInChI=1S/C17H33N5O3/c1-14(2)23-11-6-8-19-15-13-16(24-12-9-22(3)4)21-17(20-15)25-10-5-7-18/h13-14H,5-12,18H2,1-4H3,(H,19,20,21)
InChIKeyPIKGBHZDASMCTB-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.37
Rot. Bonds14

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

2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine (PubChem CID 44577493) has the molecular formula C17H33N5O3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
PubChem CID44577493
Molecular FormulaC17H33N5O3
Molecular Weight355.48 g/mol
Exact Mass355.26
IUPAC Name2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
SMILESCC(C)OCCCNc1cc(OCCN(C)C)nc(OCCCN)n1
InChIInChI=1S/C17H33N5O3/c1-14(2)23-11-6-8-19-15-13-16(24-12-9-22(3)4)21-17(20-15)25-10-5-7-18/h13-14H,5-12,18H2,1-4H3,(H,19,20,21)
InChIKeyPIKGBHZDASMCTB-UHFFFAOYSA-N
XLogP1.37
TPSA94.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine (CID 44577493) is 2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine is CC(C)OCCCNc1cc(OCCN(C)C)nc(OCCCN)n1.
What is the InChIKey of 2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
The InChIKey is PIKGBHZDASMCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5O3/c1-14(2)23-11-6-8-19-15-13-16(24-12-9-22(3)4)21-17(20-15)25-10-5-7-18/h13-14H,5-12,18H2,1-4H3,(H,19,20,21).
What are the key properties of 2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine has a molecular weight of 355.48 g/mol, XLogP of 1.37, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 44577493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).