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

C10H15IN4O2 — CID 136956888

IUPAC5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCOC(CNc2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C10H15IN4O2/c1-15-2-3-17-7(5-15)4-12-9-8(11)10(16)14-6-13-9/h6-7H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyYOLTZFHLQQNWRB-UHFFFAOYSA-N
MW350.16 g/mol
LogP0.12
Rot. Bonds3

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

5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956888) has the molecular formula C10H15IN4O2 and a molecular weight of 350.16 g/mol. Its IUPAC name is 5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956888
Molecular FormulaC10H15IN4O2
Molecular Weight350.16 g/mol
Exact Mass350.02
IUPAC Name5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCOC(CNc2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C10H15IN4O2/c1-15-2-3-17-7(5-15)4-12-9-8(11)10(16)14-6-13-9/h6-7H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyYOLTZFHLQQNWRB-UHFFFAOYSA-N
XLogP0.12
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(fluoromethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 157738230
5-Iodo-3-(morpholin-2-ylmethyl)pyrimidin-4-one
CID 66309294
5-Iodo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one
CID 66340932
5-Iodo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one
CID 66341111
5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102634996
5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706913
5-iodo-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749180
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783254
4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783260
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783263
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one
CID 136783265
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136783267

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136956888) is 5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one is CN1CCOC(CNc2nc[nH]c(=O)c2I)C1.
What is the InChIKey of 5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is YOLTZFHLQQNWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O2/c1-15-2-3-17-7(5-15)4-12-9-8(11)10(16)14-6-13-9/h6-7H,2-5H2,1H3,(H2,12,13,14,16).
What are the key properties of 5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 350.16 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).