6-methoxy-1-prop-2-enylpyrimidine-2,4-dione

C8H10N2O3 — CID 15039346

IUPAC6-methoxy-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(OC)cc(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-3-4-10-7(13-2)5-6(11)9-8(10)12/h3,5H,1,4H2,2H3,(H,9,11,12)
InChIKeyQQFWWBNQPNCCID-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.27
Rot. Bonds3

About 6-methoxy-1-prop-2-enylpyrimidine-2,4-dione

6-methoxy-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 15039346) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-methoxy-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methoxy-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID15039346
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name6-methoxy-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(OC)cc(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-3-4-10-7(13-2)5-6(11)9-8(10)12/h3,5H,1,4H2,2H3,(H,9,11,12)
InChIKeyQQFWWBNQPNCCID-UHFFFAOYSA-N
XLogP-0.27
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Aminometradine
CID 12551
1-Ethyluracil
CID 4183135
6-Amino-1-propyluracil
CID 104562
6-Amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 853899
1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4(1H,3H)-dione
CID 768406
1,3-Dimethyl-6-(propylamino)pyrimidine-2,4-dione
CID 2262138
6-Amino-1-butyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2428996
6-Ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione
CID 652709
1H-Pyrimidine-2,4-dione, 1-allyl-3-methyl-6-methylamino-
CID 752094
1-ethyl-3-methyl-6-(methylamino)-2,4(1H,3H)-pyrimidinedione
CID 822144
1-(Ethoxymethyl)uracil
CID 642670
Urea, 1-ethyl-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-, hydrate
CID 208117

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 6-methoxy-1-prop-2-enylpyrimidine-2,4-dione (CID 15039346) is 6-methoxy-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 6-methoxy-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 6-methoxy-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(OC)cc(=O)[nH]c1=O.
What is the InChIKey of 6-methoxy-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is QQFWWBNQPNCCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-4-10-7(13-2)5-6(11)9-8(10)12/h3,5H,1,4H2,2H3,(H,9,11,12).
What are the key properties of 6-methoxy-1-prop-2-enylpyrimidine-2,4-dione?
6-methoxy-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 15039346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).