4,6-diethylpyrimidin-5-amine

C8H13N3 — CID 15585361

IUPAC4,6-diethylpyrimidin-5-amine
SMILESCCc1ncnc(CC)c1N
InChIInChI=1S/C8H13N3/c1-3-6-8(9)7(4-2)11-5-10-6/h5H,3-4,9H2,1-2H3
InChIKeyKAGOHQOBLVBFKH-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.18
Rot. Bonds2

About 4,6-diethylpyrimidin-5-amine

4,6-diethylpyrimidin-5-amine (PubChem CID 15585361) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4,6-diethylpyrimidin-5-amine.

Molecular Properties

Compound Name4,6-diethylpyrimidin-5-amine
PubChem CID15585361
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4,6-diethylpyrimidin-5-amine
SMILESCCc1ncnc(CC)c1N
InChIInChI=1S/C8H13N3/c1-3-6-8(9)7(4-2)11-5-10-6/h5H,3-4,9H2,1-2H3
InChIKeyKAGOHQOBLVBFKH-UHFFFAOYSA-N
XLogP1.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethylpyrimidin-5-amine?
The IUPAC name of 4,6-diethylpyrimidin-5-amine (CID 15585361) is 4,6-diethylpyrimidin-5-amine.
What is the SMILES notation for 4,6-diethylpyrimidin-5-amine?
The canonical SMILES for 4,6-diethylpyrimidin-5-amine is CCc1ncnc(CC)c1N.
What is the InChIKey of 4,6-diethylpyrimidin-5-amine?
The InChIKey is KAGOHQOBLVBFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-6-8(9)7(4-2)11-5-10-6/h5H,3-4,9H2,1-2H3.
What are the key properties of 4,6-diethylpyrimidin-5-amine?
4,6-diethylpyrimidin-5-amine has a molecular weight of 151.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethylpyrimidin-5-amine is sourced from PubChem (CID 15585361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).