5-ethyl-N-methylpyrimidin-4-amine

C7H11N3 — CID 45080324

IUPAC5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1cncnc1NC
InChIInChI=1S/C7H11N3/c1-3-6-4-9-5-10-7(6)8-2/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeyGNSFYDGEWNHCOQ-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.08
Rot. Bonds2

About 5-ethyl-N-methylpyrimidin-4-amine

5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 45080324) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-methylpyrimidin-4-amine
PubChem CID45080324
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1cncnc1NC
InChIInChI=1S/C7H11N3/c1-3-6-4-9-5-10-7(6)8-2/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeyGNSFYDGEWNHCOQ-UHFFFAOYSA-N
XLogP1.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-methylpyrimidin-4-amine (CID 45080324) is 5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-methylpyrimidin-4-amine is CCc1cncnc1NC.
What is the InChIKey of 5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is GNSFYDGEWNHCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-6-4-9-5-10-7(6)8-2/h4-5H,3H2,1-2H3,(H,8,9,10).
What are the key properties of 5-ethyl-N-methylpyrimidin-4-amine?
5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 137.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 45080324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).