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

C14H27N5O3 — CID 44577492

IUPAC2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1cc(OCCN(C)C)nc(OCCCN)n1
InChIInChI=1S/C14H27N5O3/c1-19(2)7-10-21-13-11-12(16-6-9-20-3)17-14(18-13)22-8-4-5-15/h11H,4-10,15H2,1-3H3,(H,16,17,18)
InChIKeyVFVJDEUDXQVENU-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.20
Rot. Bonds12

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

2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 44577492) has the molecular formula C14H27N5O3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID44577492
Molecular FormulaC14H27N5O3
Molecular Weight313.40 g/mol
Exact Mass313.21
IUPAC Name2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1cc(OCCN(C)C)nc(OCCCN)n1
InChIInChI=1S/C14H27N5O3/c1-19(2)7-10-21-13-11-12(16-6-9-20-3)17-14(18-13)22-8-4-5-15/h11H,4-10,15H2,1-3H3,(H,16,17,18)
InChIKeyVFVJDEUDXQVENU-UHFFFAOYSA-N
XLogP0.20
TPSA94.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.20
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-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine (CID 44577492) is 2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine is COCCNc1cc(OCCN(C)C)nc(OCCCN)n1.
What is the InChIKey of 2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is VFVJDEUDXQVENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O3/c1-19(2)7-10-21-13-11-12(16-6-9-20-3)17-14(18-13)22-8-4-5-15/h11H,4-10,15H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine?
2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 313.40 g/mol, XLogP of 0.20, 12 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-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 44577492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).