4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile

C8H10N4O — CID 135849709

IUPAC4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCCNc1nc(C)[nH]c(=O)c1C#N
InChIInChI=1S/C8H10N4O/c1-3-10-7-6(4-9)8(13)12-5(2)11-7/h3H2,1-2H3,(H2,10,11,12,13)
InChIKeyHFSOSUALPUXFMK-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.38
Rot. Bonds2

About 4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile

4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 135849709) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID135849709
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCCNc1nc(C)[nH]c(=O)c1C#N
InChIInChI=1S/C8H10N4O/c1-3-10-7-6(4-9)8(13)12-5(2)11-7/h3H2,1-2H3,(H2,10,11,12,13)
InChIKeyHFSOSUALPUXFMK-UHFFFAOYSA-N
XLogP0.38
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile (CID 135849709) is 4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile is CCNc1nc(C)[nH]c(=O)c1C#N.
What is the InChIKey of 4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is HFSOSUALPUXFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-3-10-7-6(4-9)8(13)12-5(2)11-7/h3H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile?
4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135849709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).