1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione

C12H18N4O3 — CID 2243497

IUPAC1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione
SMILESCc1c(/N=C/N2CCOCC2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H18N4O3/c1-9-10(11(17)15(3)12(18)14(9)2)13-8-16-4-6-19-7-5-16/h8H,4-7H2,1-3H3/b13-8+
InChIKeyMMEJZMZZWDEZMZ-MDWZMJQESA-N
MW266.30 g/mol
LogP-0.62
Rot. Bonds2

About 1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione

1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione (PubChem CID 2243497) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione
PubChem CID2243497
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione
SMILESCc1c(/N=C/N2CCOCC2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H18N4O3/c1-9-10(11(17)15(3)12(18)14(9)2)13-8-16-4-6-19-7-5-16/h8H,4-7H2,1-3H3/b13-8+
InChIKeyMMEJZMZZWDEZMZ-MDWZMJQESA-N
XLogP-0.62
TPSA68.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione (CID 2243497) is 1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione is Cc1c(/N=C/N2CCOCC2)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione?
The InChIKey is MMEJZMZZWDEZMZ-MDWZMJQESA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9-10(11(17)15(3)12(18)14(9)2)13-8-16-4-6-19-7-5-16/h8H,4-7H2,1-3H3/b13-8+.
What are the key properties of 1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione?
1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of -0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-(morpholin-4-ylmethylideneamino)pyrimidine-2,4-dione is sourced from PubChem (CID 2243497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).