6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine

C13H24N4O — CID 80870423

IUPAC6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OCCN(CC)CC
InChIInChI=1S/C13H24N4O/c1-4-7-11-12(14)15-10-16-13(11)18-9-8-17(5-2)6-3/h10H,4-9H2,1-3H3,(H2,14,15,16)
InChIKeyWCAHKNVSWGNKAH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.73
Rot. Bonds8

About 6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine

6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine (PubChem CID 80870423) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine
PubChem CID80870423
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OCCN(CC)CC
InChIInChI=1S/C13H24N4O/c1-4-7-11-12(14)15-10-16-13(11)18-9-8-17(5-2)6-3/h10H,4-9H2,1-3H3,(H2,14,15,16)
InChIKeyWCAHKNVSWGNKAH-UHFFFAOYSA-N
XLogP1.73
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine (CID 80870423) is 6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1OCCN(CC)CC.
What is the InChIKey of 6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine?
The InChIKey is WCAHKNVSWGNKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-7-11-12(14)15-10-16-13(11)18-9-8-17(5-2)6-3/h10H,4-9H2,1-3H3,(H2,14,15,16).
What are the key properties of 6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine?
6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80870423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).