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

C11H16N4O4 — CID 135043059

IUPAC6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione
SMILESC/C(=C\c1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C)N(C)C
InChIInChI=1S/C11H16N4O4/c1-7(12(2)3)6-8-9(15(18)19)10(16)14(5)11(17)13(8)4/h6H,1-5H3/b7-6+
InChIKeyJWSRLRMKXFDWKX-VOTSOKGWSA-N
MW268.27 g/mol
LogP-0.09
Rot. Bonds3

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

6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione (PubChem CID 135043059) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione
PubChem CID135043059
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione
SMILESC/C(=C\c1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C)N(C)C
InChIInChI=1S/C11H16N4O4/c1-7(12(2)3)6-8-9(15(18)19)10(16)14(5)11(17)13(8)4/h6H,1-5H3/b7-6+
InChIKeyJWSRLRMKXFDWKX-VOTSOKGWSA-N
XLogP-0.09
TPSA90.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.09
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

5-Nitro-1,3,6-trimethyluracil
CID 750369
6-[(E)-2-(dimethylamino)vinyl]-5-nitropyrimidine-2,4-diol
CID 5816188
6-[2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
CID 3403552
1,3-Dimethyl-6-nitro-1h-imidazo[4,5-b]pyridine-2,5(3h,4h)-dione
CID 129757267
1,3-Dimethyl-6-[2-(dimethylamino)vinyl]-5-nitrouracil
CID 1083476
6-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
CID 1083477
6-methyl-5-nitro-1,3-dipropyl-1H-pyrimidine-2,4-dione
CID 10037989
3,5-Dinitro-1-[1-(2-oxo-1-pyridinyl)ethyl]pyridin-2-one
CID 87770094
3-butyl-6-[(E)-2-(dimethylamino)ethenyl]-1-methyl-5-nitropyrimidine-2,4-dione
CID 122527164
6-Methyl-1,3-dipropylpyrimidine-2,4-dione;6-methyl-5-nitro-1,3-dipropylpyrimidine-2,4-dione
CID 157945482
1,3-Dimethyl-5-nitro-6-(2-pyrrolidin-1-ylethenyl)pyrimidine-2,4-dione
CID 3658587
1,3-dimethyl-5-nitro-6-[(E)-2-(pyrrolidin-1-yl)ethenyl]pyrimidine-2,4(1H,3H)-dione
CID 5887924

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione?
The IUPAC name of 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione (CID 135043059) is 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione.
What is the SMILES notation for 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione?
The canonical SMILES for 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione is C/C(=C\c1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C)N(C)C.
What is the InChIKey of 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione?
The InChIKey is JWSRLRMKXFDWKX-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7(12(2)3)6-8-9(15(18)19)10(16)14(5)11(17)13(8)4/h6H,1-5H3/b7-6+.
What are the key properties of 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione?
6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione has a molecular weight of 268.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(dimethylamino)prop-1-enyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione is sourced from PubChem (CID 135043059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).