4-ethyl-6-pentan-2-ylpyrimidin-5-amine

C11H19N3 — CID 135242515

IUPAC4-ethyl-6-pentan-2-ylpyrimidin-5-amine
SMILESCCCC(C)c1ncnc(CC)c1N
InChIInChI=1S/C11H19N3/c1-4-6-8(3)11-10(12)9(5-2)13-7-14-11/h7-8H,4-6,12H2,1-3H3
InChIKeyGNFKJTYOZIJVAW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.52
Rot. Bonds4

About 4-ethyl-6-pentan-2-ylpyrimidin-5-amine

4-ethyl-6-pentan-2-ylpyrimidin-5-amine (PubChem CID 135242515) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-ethyl-6-pentan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-ethyl-6-pentan-2-ylpyrimidin-5-amine
PubChem CID135242515
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-ethyl-6-pentan-2-ylpyrimidin-5-amine
SMILESCCCC(C)c1ncnc(CC)c1N
InChIInChI=1S/C11H19N3/c1-4-6-8(3)11-10(12)9(5-2)13-7-14-11/h7-8H,4-6,12H2,1-3H3
InChIKeyGNFKJTYOZIJVAW-UHFFFAOYSA-N
XLogP2.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-pentan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-ethyl-6-pentan-2-ylpyrimidin-5-amine (CID 135242515) is 4-ethyl-6-pentan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-ethyl-6-pentan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-ethyl-6-pentan-2-ylpyrimidin-5-amine is CCCC(C)c1ncnc(CC)c1N.
What is the InChIKey of 4-ethyl-6-pentan-2-ylpyrimidin-5-amine?
The InChIKey is GNFKJTYOZIJVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-6-8(3)11-10(12)9(5-2)13-7-14-11/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 4-ethyl-6-pentan-2-ylpyrimidin-5-amine?
4-ethyl-6-pentan-2-ylpyrimidin-5-amine has a molecular weight of 193.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-pentan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 135242515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).