6-amino-1-ethyl-5-nitropyrimidine-2,4-dione

C6H8N4O4 — CID 4072565

IUPAC6-amino-1-ethyl-5-nitropyrimidine-2,4-dione
SMILESCCn1c(N)c([N+](=O)[O-])c(=O)[nH]c1=O
InChIInChI=1S/C6H8N4O4/c1-2-9-4(7)3(10(13)14)5(11)8-6(9)12/h2,7H2,1H3,(H,8,11,12)
InChIKeyQDHPVYJXCHOBBC-UHFFFAOYSA-N
MW200.15 g/mol
LogP-0.95
Rot. Bonds2

About 6-amino-1-ethyl-5-nitropyrimidine-2,4-dione

6-amino-1-ethyl-5-nitropyrimidine-2,4-dione (PubChem CID 4072565) has the molecular formula C6H8N4O4 and a molecular weight of 200.15 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-nitropyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-nitropyrimidine-2,4-dione
PubChem CID4072565
Molecular FormulaC6H8N4O4
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name6-amino-1-ethyl-5-nitropyrimidine-2,4-dione
SMILESCCn1c(N)c([N+](=O)[O-])c(=O)[nH]c1=O
InChIInChI=1S/C6H8N4O4/c1-2-9-4(7)3(10(13)14)5(11)8-6(9)12/h2,7H2,1H3,(H,8,11,12)
InChIKeyQDHPVYJXCHOBBC-UHFFFAOYSA-N
XLogP-0.95
TPSA124.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Amino-1,3-dimethyl-5-nitrosouracil
CID 81133
6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione
CID 81448
5-Nitro-1,3,6-trimethyluracil
CID 750369
6-Chloro-2-hydroxy-3-methyl-5-nitro-3,4-dihydropyrimidin-4-one
CID 247192
6-Amino-1,3-diethyl-5-nitroso-2,4(1H,3H)-pyrimidinedione
CID 385990
6-Amino-1-isobutyl-3-methyl-5-nitrosouracil
CID 104678
Bas 00444373
CID 3107550
3-Methyl-5-nitrouracil
CID 320000
1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
CID 96370
1,3-Dimethyl-6-(methylamino)-5-nitropyrimidine-2,4-dione
CID 96841
6-Amino-3-methyl-5-nitroso-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 3247720
6-(ethylamino)-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione
CID 3107551

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-nitropyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-nitropyrimidine-2,4-dione (CID 4072565) is 6-amino-1-ethyl-5-nitropyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-nitropyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-nitropyrimidine-2,4-dione is CCn1c(N)c([N+](=O)[O-])c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-nitropyrimidine-2,4-dione?
The InChIKey is QDHPVYJXCHOBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O4/c1-2-9-4(7)3(10(13)14)5(11)8-6(9)12/h2,7H2,1H3,(H,8,11,12).
What are the key properties of 6-amino-1-ethyl-5-nitropyrimidine-2,4-dione?
6-amino-1-ethyl-5-nitropyrimidine-2,4-dione has a molecular weight of 200.15 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-nitropyrimidine-2,4-dione is sourced from PubChem (CID 4072565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).