3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione

C13H14N4O3 — CID 3118973

IUPAC3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione
SMILESCC(Nc1[nH]c(=O)n(C)c(=O)c1N=O)c1ccccc1
InChIInChI=1S/C13H14N4O3/c1-8(9-6-4-3-5-7-9)14-11-10(16-20)12(18)17(2)13(19)15-11/h3-8,14H,1-2H3,(H,15,19)
InChIKeyNHUQJIKZDKKUJI-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.64
Rot. Bonds4

About 3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione

3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione (PubChem CID 3118973) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione
PubChem CID3118973
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione
SMILESCC(Nc1[nH]c(=O)n(C)c(=O)c1N=O)c1ccccc1
InChIInChI=1S/C13H14N4O3/c1-8(9-6-4-3-5-7-9)14-11-10(16-20)12(18)17(2)13(19)15-11/h3-8,14H,1-2H3,(H,15,19)
InChIKeyNHUQJIKZDKKUJI-UHFFFAOYSA-N
XLogP1.64
TPSA96.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione (CID 3118973) is 3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione is CC(Nc1[nH]c(=O)n(C)c(=O)c1N=O)c1ccccc1.
What is the InChIKey of 3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is NHUQJIKZDKKUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8(9-6-4-3-5-7-9)14-11-10(16-20)12(18)17(2)13(19)15-11/h3-8,14H,1-2H3,(H,15,19).
What are the key properties of 3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione?
3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-nitroso-6-(1-phenylethylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3118973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).