1-ethyl-6-methylpyrimidin-4-imine

C7H11N3 — CID 56692694

IUPAC1-ethyl-6-methylpyrimidin-4-imine
SMILES[H]/N=c1/cc(C)n(CC)cn1
InChIInChI=1S/C7H11N3/c1-3-10-5-9-7(8)4-6(10)2/h4-5,8H,3H2,1-2H3/b8-7-
InChIKeyIOANBWDMALOMMX-FPLPWBNLSA-N
MW137.19 g/mol
LogP0.69
Rot. Bonds1

About 1-ethyl-6-methylpyrimidin-4-imine

1-ethyl-6-methylpyrimidin-4-imine (PubChem CID 56692694) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-ethyl-6-methylpyrimidin-4-imine.

Molecular Properties

Compound Name1-ethyl-6-methylpyrimidin-4-imine
PubChem CID56692694
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-ethyl-6-methylpyrimidin-4-imine
SMILES[H]/N=c1/cc(C)n(CC)cn1
InChIInChI=1S/C7H11N3/c1-3-10-5-9-7(8)4-6(10)2/h4-5,8H,3H2,1-2H3/b8-7-
InChIKeyIOANBWDMALOMMX-FPLPWBNLSA-N
XLogP0.69
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methylpyrimidin-4-imine?
The IUPAC name of 1-ethyl-6-methylpyrimidin-4-imine (CID 56692694) is 1-ethyl-6-methylpyrimidin-4-imine.
What is the SMILES notation for 1-ethyl-6-methylpyrimidin-4-imine?
The canonical SMILES for 1-ethyl-6-methylpyrimidin-4-imine is [H]/N=c1/cc(C)n(CC)cn1.
What is the InChIKey of 1-ethyl-6-methylpyrimidin-4-imine?
The InChIKey is IOANBWDMALOMMX-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-10-5-9-7(8)4-6(10)2/h4-5,8H,3H2,1-2H3/b8-7-.
What are the key properties of 1-ethyl-6-methylpyrimidin-4-imine?
1-ethyl-6-methylpyrimidin-4-imine has a molecular weight of 137.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methylpyrimidin-4-imine is sourced from PubChem (CID 56692694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).