N-ethylpyrimidin-5-amine

C6H9N3 — CID 69472207

IUPACN-ethylpyrimidin-5-amine
SMILESCCNc1cncnc1
InChIInChI=1S/C6H9N3/c1-2-9-6-3-7-5-8-4-6/h3-5,9H,2H2,1H3
InChIKeyMGSZTYJMTSIONZ-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.91
Rot. Bonds2

About N-ethylpyrimidin-5-amine

N-ethylpyrimidin-5-amine (PubChem CID 69472207) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N-ethylpyrimidin-5-amine.

Molecular Properties

Compound NameN-ethylpyrimidin-5-amine
PubChem CID69472207
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN-ethylpyrimidin-5-amine
SMILESCCNc1cncnc1
InChIInChI=1S/C6H9N3/c1-2-9-6-3-7-5-8-4-6/h3-5,9H,2H2,1H3
InChIKeyMGSZTYJMTSIONZ-UHFFFAOYSA-N
XLogP0.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethylpyrimidin-5-amine?
The IUPAC name of N-ethylpyrimidin-5-amine (CID 69472207) is N-ethylpyrimidin-5-amine.
What is the SMILES notation for N-ethylpyrimidin-5-amine?
The canonical SMILES for N-ethylpyrimidin-5-amine is CCNc1cncnc1.
What is the InChIKey of N-ethylpyrimidin-5-amine?
The InChIKey is MGSZTYJMTSIONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-9-6-3-7-5-8-4-6/h3-5,9H,2H2,1H3.
What are the key properties of N-ethylpyrimidin-5-amine?
N-ethylpyrimidin-5-amine has a molecular weight of 123.16 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpyrimidin-5-amine is sourced from PubChem (CID 69472207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).