6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione

C11H12N2O2 — CID 145108436

IUPAC6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione
SMILESC=C/C=C(\C=C)c1cc(=O)[nH]c(=O)n1C
InChIInChI=1S/C11H12N2O2/c1-4-6-8(5-2)9-7-10(14)12-11(15)13(9)3/h4-7H,1-2H2,3H3,(H,12,14,15)/b8-6+
InChIKeySGAKUWIRVNHNBG-SOFGYWHQSA-N
MW204.23 g/mol
LogP0.83
Rot. Bonds3

About 6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione

6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione (PubChem CID 145108436) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione
PubChem CID145108436
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione
SMILESC=C/C=C(\C=C)c1cc(=O)[nH]c(=O)n1C
InChIInChI=1S/C11H12N2O2/c1-4-6-8(5-2)9-7-10(14)12-11(15)13(9)3/h4-7H,1-2H2,3H3,(H,12,14,15)/b8-6+
InChIKeySGAKUWIRVNHNBG-SOFGYWHQSA-N
XLogP0.83
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-Cyclopropyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 22075424
6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione
CID 46884643
Uracil, 5-allyl-3,6-dimethyl-
CID 3021699
6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]uracil
CID 145946112
(E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
CID 919528
1,3-Dimethylpyrido[2,3-D]pyrimidine-2,4,7(1H,3H,8H)-trione
CID 317936
6-Ethyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 12955129
6-Iso-propyl-1,3-dimethyluracil
CID 58883363
6-Tert-butyl-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 121206592
Pyrimido(4,5-b)quinoline-2,4(3H,10H)-dione, 8-hydroxy-10-methyl-
CID 100685
2-Propenamide, N,N-dimethyl-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-, (E)-
CID 5925971
8-Hydroxy-5-deazaisoalloxazine
CID 195752

Frequently Asked Questions

What is the IUPAC name of 6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione (CID 145108436) is 6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione is C=C/C=C(\C=C)c1cc(=O)[nH]c(=O)n1C.
What is the InChIKey of 6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione?
The InChIKey is SGAKUWIRVNHNBG-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-4-6-8(5-2)9-7-10(14)12-11(15)13(9)3/h4-7H,1-2H2,3H3,(H,12,14,15)/b8-6+.
What are the key properties of 6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione?
6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione has a molecular weight of 204.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 145108436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).