1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione

C12H17N3O3 — CID 2332060

IUPAC1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione
SMILESCn1c(/C=C/N2CCOCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O3/c1-13-10(9-11(16)14(2)12(13)17)3-4-15-5-7-18-8-6-15/h3-4,9H,5-8H2,1-2H3/b4-3+
InChIKeyAMZQIQLSAXYFAC-ONEGZZNKSA-N
MW251.29 g/mol
LogP-0.61
Rot. Bonds2

About 1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione (PubChem CID 2332060) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione
PubChem CID2332060
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione
SMILESCn1c(/C=C/N2CCOCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O3/c1-13-10(9-11(16)14(2)12(13)17)3-4-15-5-7-18-8-6-15/h3-4,9H,5-8H2,1-2H3/b4-3+
InChIKeyAMZQIQLSAXYFAC-ONEGZZNKSA-N
XLogP-0.61
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione (CID 2332060) is 1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione is Cn1c(/C=C/N2CCOCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione?
The InChIKey is AMZQIQLSAXYFAC-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-13-10(9-11(16)14(2)12(13)17)3-4-15-5-7-18-8-6-15/h3-4,9H,5-8H2,1-2H3/b4-3+.
What are the key properties of 1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione has a molecular weight of 251.29 g/mol, XLogP of -0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(E)-2-morpholin-4-ylethenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2332060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).