6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione

C10H14N4O4 — CID 1083476

IUPAC6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione
SMILESCN(C)C=Cc1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H14N4O4/c1-11(2)6-5-7-8(14(17)18)9(15)13(4)10(16)12(7)3/h5-6H,1-4H3
InChIKeyRWXJJNUDUCETTI-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.48
Rot. Bonds3

About 6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione

6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione (PubChem CID 1083476) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione
PubChem CID1083476
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione
SMILESCN(C)C=Cc1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H14N4O4/c1-11(2)6-5-7-8(14(17)18)9(15)13(4)10(16)12(7)3/h5-6H,1-4H3
InChIKeyRWXJJNUDUCETTI-UHFFFAOYSA-N
XLogP-0.48
TPSA90.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[(E)-2-(dimethylamino)vinyl]-5-nitropyrimidine-2,4-diol
CID 5816188
1,3-Diethyl-6-methyl-5-nitrouracil
CID 4280150
6-[2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
CID 3403552
6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione
CID 135043059
1,3-Dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione hydrate
CID 2723823
6-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
CID 1083477
3,6-dimethyl-5-nitro-1-propyl-1H-pyrimidine-2,4-dione
CID 22325572
6-Methyl-5-nitro-1-ethyl-3-propyl-1,3-dihydropyrimidine-2,4-dione
CID 59833620
1,6-Dimethyl-5-nitro-3-propylpyrimidine-2,4(1H,3H)-dione
CID 71362817
3-Ethyl-1,6-dimethyl-5-nitropyrimidine-2,4-dione
CID 87724958
3,5-Dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one
CID 87770094
6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione
CID 88959545

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione?
The IUPAC name of 6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione (CID 1083476) is 6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione is CN(C)C=Cc1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione?
The InChIKey is RWXJJNUDUCETTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-11(2)6-5-7-8(14(17)18)9(15)13(4)10(16)12(7)3/h5-6H,1-4H3.
What are the key properties of 6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione?
6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione has a molecular weight of 254.25 g/mol, XLogP of -0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione is sourced from PubChem (CID 1083476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).