6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione

C9H10N2O2 — CID 143465382

IUPAC6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
SMILESC=Cc1[nH]c(=O)[nH]c(=O)c1/C=C\C
InChIInChI=1S/C9H10N2O2/c1-3-5-6-7(4-2)10-9(13)11-8(6)12/h3-5H,2H2,1H3,(H2,10,11,12,13)/b5-3-
InChIKeyKTDWWZXJVYNRLF-HYXAFXHYSA-N
MW178.19 g/mol
LogP0.74
Rot. Bonds2

About 6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione

6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione (PubChem CID 143465382) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
PubChem CID143465382
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
SMILESC=Cc1[nH]c(=O)[nH]c(=O)c1/C=C\C
InChIInChI=1S/C9H10N2O2/c1-3-5-6-7(4-2)10-9(13)11-8(6)12/h3-5H,2H2,1H3,(H2,10,11,12,13)/b5-3-
InChIKeyKTDWWZXJVYNRLF-HYXAFXHYSA-N
XLogP0.74
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Uracil, 5-allyl-6-methyl-
CID 824910
6-Ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 246001
5-[(1E)-but-1-en-1-yl]-6-chloro-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648525
6-chloro-5-[(1E)-pent-1-en-1-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648526
Uracil, 5-ethyl-6-methyl-
CID 202538
6-Tert-butylpyrimidine-2,4-diol
CID 817312
6-chloro-5-[(1E)-prop-1-en-1-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648524
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
6-Ethyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 14842377
6-Allylpyrimidine-2,4(1H,3H)-dione
CID 70629140

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione (CID 143465382) is 6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione is C=Cc1[nH]c(=O)[nH]c(=O)c1/C=C\C.
What is the InChIKey of 6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
The InChIKey is KTDWWZXJVYNRLF-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-5-6-7(4-2)10-9(13)11-8(6)12/h3-5H,2H2,1H3,(H2,10,11,12,13)/b5-3-.
What are the key properties of 6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione has a molecular weight of 178.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 143465382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).