6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione

C12H18N4O4 — CID 1398850

IUPAC6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione
SMILESC/C(=N\CCN1CCOCC1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H18N4O4/c1-8(9-10(17)14-12(19)15-11(9)18)13-2-3-16-4-6-20-7-5-16/h2-7H2,1H3,(H3,14,15,17,18,19)/b13-8+
InChIKeyFQUMFSBKHRQGKF-MDWZMJQESA-N
MW282.30 g/mol
LogP-1.09
Rot. Bonds4

About 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione (PubChem CID 1398850) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione
PubChem CID1398850
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione
SMILESC/C(=N\CCN1CCOCC1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H18N4O4/c1-8(9-10(17)14-12(19)15-11(9)18)13-2-3-16-4-6-20-7-5-16/h2-7H2,1H3,(H3,14,15,17,18,19)/b13-8+
InChIKeyFQUMFSBKHRQGKF-MDWZMJQESA-N
XLogP-1.09
TPSA110.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione (CID 1398850) is 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione is C/C(=N\CCN1CCOCC1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione?
The InChIKey is FQUMFSBKHRQGKF-MDWZMJQESA-N. The full InChI is InChI=1S/C12H18N4O4/c1-8(9-10(17)14-12(19)15-11(9)18)13-2-3-16-4-6-20-7-5-16/h2-7H2,1H3,(H3,14,15,17,18,19)/b13-8+.
What are the key properties of 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione has a molecular weight of 282.30 g/mol, XLogP of -1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1398850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).