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

C16H30N4O3 — CID 44577417

IUPAC4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
SMILESCCOc1cc(OCCN(C)C)nc(NCCCOC(C)C)n1
InChIInChI=1S/C16H30N4O3/c1-6-21-14-12-15(23-11-9-20(4)5)19-16(18-14)17-8-7-10-22-13(2)3/h12-13H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyWKONIARZIOYCMA-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.04
Rot. Bonds12

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

4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine (PubChem CID 44577417) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
PubChem CID44577417
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
SMILESCCOc1cc(OCCN(C)C)nc(NCCCOC(C)C)n1
InChIInChI=1S/C16H30N4O3/c1-6-21-14-12-15(23-11-9-20(4)5)19-16(18-14)17-8-7-10-22-13(2)3/h12-13H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyWKONIARZIOYCMA-UHFFFAOYSA-N
XLogP2.04
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
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-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine (CID 44577417) is 4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine is CCOc1cc(OCCN(C)C)nc(NCCCOC(C)C)n1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
The InChIKey is WKONIARZIOYCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-6-21-14-12-15(23-11-9-20(4)5)19-16(18-14)17-8-7-10-22-13(2)3/h12-13H,6-11H2,1-5H3,(H,17,18,19).
What are the key properties of 4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine has a molecular weight of 326.44 g/mol, XLogP of 2.04, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 44577417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).