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

C7H10N4O3 — CID 3107551

IUPAC6-(ethylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
SMILESCCNc1[nH]c(=O)n(C)c(=O)c1N=O
InChIInChI=1S/C7H10N4O3/c1-3-8-5-4(10-14)6(12)11(2)7(13)9-5/h8H,3H2,1-2H3,(H,9,13)
InChIKeyBZGNKFHJFWWTJD-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.10
Rot. Bonds3

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

6-(ethylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione (PubChem CID 3107551) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 6-(ethylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(ethylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
PubChem CID3107551
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name6-(ethylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
SMILESCCNc1[nH]c(=O)n(C)c(=O)c1N=O
InChIInChI=1S/C7H10N4O3/c1-3-8-5-4(10-14)6(12)11(2)7(13)9-5/h8H,3H2,1-2H3,(H,9,13)
InChIKeyBZGNKFHJFWWTJD-UHFFFAOYSA-N
XLogP-0.10
TPSA96.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(ethylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione (CID 3107551) is 6-(ethylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(ethylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(ethylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione is CCNc1[nH]c(=O)n(C)c(=O)c1N=O.
What is the InChIKey of 6-(ethylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione?
The InChIKey is BZGNKFHJFWWTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-3-8-5-4(10-14)6(12)11(2)7(13)9-5/h8H,3H2,1-2H3,(H,9,13).
What are the key properties of 6-(ethylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione?
6-(ethylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione has a molecular weight of 198.18 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3107551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).