4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile

C8H10N4 — CID 55266006

IUPAC4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile
SMILESCCc1nc(C)nc(N)c1C#N
InChIInChI=1S/C8H10N4/c1-3-7-6(4-9)8(10)12-5(2)11-7/h3H2,1-2H3,(H2,10,11,12)
InChIKeyJGDLMVUAPKUNOH-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.80
Rot. Bonds1

About 4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile

4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile (PubChem CID 55266006) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile
PubChem CID55266006
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile
SMILESCCc1nc(C)nc(N)c1C#N
InChIInChI=1S/C8H10N4/c1-3-7-6(4-9)8(10)12-5(2)11-7/h3H2,1-2H3,(H2,10,11,12)
InChIKeyJGDLMVUAPKUNOH-UHFFFAOYSA-N
XLogP0.80
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile (CID 55266006) is 4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile is CCc1nc(C)nc(N)c1C#N.
What is the InChIKey of 4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile?
The InChIKey is JGDLMVUAPKUNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-3-7-6(4-9)8(10)12-5(2)11-7/h3H2,1-2H3,(H2,10,11,12).
What are the key properties of 4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile?
4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile has a molecular weight of 162.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-ethyl-2-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 55266006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).