4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one

C11H17IN4O2 — CID 136958122

IUPAC4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN1CCOC(CNc2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C11H17IN4O2/c1-2-16-3-4-18-8(6-16)5-13-10-9(12)11(17)15-7-14-10/h7-8H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyUEUKOXMIBUBICY-UHFFFAOYSA-N
MW364.19 g/mol
LogP0.51
Rot. Bonds4

About 4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one

4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136958122) has the molecular formula C11H17IN4O2 and a molecular weight of 364.19 g/mol. Its IUPAC name is 4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136958122
Molecular FormulaC11H17IN4O2
Molecular Weight364.19 g/mol
Exact Mass364.04
IUPAC Name4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN1CCOC(CNc2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C11H17IN4O2/c1-2-16-3-4-18-8(6-16)5-13-10-9(12)11(17)15-7-14-10/h7-8H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyUEUKOXMIBUBICY-UHFFFAOYSA-N
XLogP0.51
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one (CID 136958122) is 4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one is CCN1CCOC(CNc2nc[nH]c(=O)c2I)C1.
What is the InChIKey of 4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is UEUKOXMIBUBICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O2/c1-2-16-3-4-18-8(6-16)5-13-10-9(12)11(17)15-7-14-10/h7-8H,2-6H2,1H3,(H2,13,14,15,17).
What are the key properties of 4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one?
4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 364.19 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylmorpholin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136958122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).