1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine

C14H23N3O2 — CID 116779233

IUPAC1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine
SMILESCCOC1(c2ncc(CC(C)N)cn2)CCOCC1
InChIInChI=1S/C14H23N3O2/c1-3-19-14(4-6-18-7-5-14)13-16-9-12(10-17-13)8-11(2)15/h9-11H,3-8,15H2,1-2H3
InChIKeyPMNRJFBZMPMBQP-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.41
Rot. Bonds5

About 1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine

1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine (PubChem CID 116779233) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine
PubChem CID116779233
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine
SMILESCCOC1(c2ncc(CC(C)N)cn2)CCOCC1
InChIInChI=1S/C14H23N3O2/c1-3-19-14(4-6-18-7-5-14)13-16-9-12(10-17-13)8-11(2)15/h9-11H,3-8,15H2,1-2H3
InChIKeyPMNRJFBZMPMBQP-UHFFFAOYSA-N
XLogP1.41
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine (CID 116779233) is 1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine is CCOC1(c2ncc(CC(C)N)cn2)CCOCC1.
What is the InChIKey of 1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine?
The InChIKey is PMNRJFBZMPMBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-19-14(4-6-18-7-5-14)13-16-9-12(10-17-13)8-11(2)15/h9-11H,3-8,15H2,1-2H3.
What are the key properties of 1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine?
1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine has a molecular weight of 265.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine is sourced from PubChem (CID 116779233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).