3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione

C12H17N3O3 — CID 4113671

IUPAC3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(N2CCOCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O3/c1-3-4-15-10(14-5-7-18-8-6-14)9-11(16)13(2)12(15)17/h3,9H,1,4-8H2,2H3
InChIKeyIMZBSUZYPPZYNH-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.43
Rot. Bonds3

About 3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione

3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 4113671) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID4113671
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(N2CCOCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O3/c1-3-4-15-10(14-5-7-18-8-6-14)9-11(16)13(2)12(15)17/h3,9H,1,4-8H2,2H3
InChIKeyIMZBSUZYPPZYNH-UHFFFAOYSA-N
XLogP-0.43
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-6-morpholino-2,4(1H,3H)-pyrimidinedione
CID 2801167
3-butyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 5310386
3-methyl-6-morpholinopyrimidine-2,4(1H,3H)-dione
CID 3254441
3-ethyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 4141055
1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione
CID 2332060
1,3-Bis-(2-methoxyethyl)uracil
CID 86291685
1,3-Dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
CID 13014893
1,3-Dimethyl-6-[(3-methylmorpholin-4-yl)methyl]pyrimidine-2,4-dione
CID 45813887
Pyrimidine-2,4-dione, hexahydro-3,6-dimethyl-1-(4-morpholinobutyl)-
CID 567606
3-(Morpholin-4-ylmethyl)-1,3-dihydropyrimidine-2,4-dione
CID 260818
1,3-Dimethyl-6-(morpholinomethyleneamino)pyrimidine-2,4-dione
CID 101563465
6-morpholin-4-yl-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 134987665

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione (CID 4113671) is 3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(N2CCOCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is IMZBSUZYPPZYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-4-15-10(14-5-7-18-8-6-14)9-11(16)13(2)12(15)17/h3,9H,1,4-8H2,2H3.
What are the key properties of 3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione?
3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 251.29 g/mol, XLogP of -0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-morpholin-4-yl-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 4113671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).