2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine

C12H19IN4O2 — CID 79669669

IUPAC2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCN1CCOC(c2nc(N)c(I)c(COC)n2)C1
InChIInChI=1S/C12H19IN4O2/c1-3-17-4-5-19-9(6-17)12-15-8(7-18-2)10(13)11(14)16-12/h9H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyKNRWWQRBJOGRPV-UHFFFAOYSA-N
MW378.21 g/mol
LogP1.20
Rot. Bonds4

About 2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine

2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 79669669) has the molecular formula C12H19IN4O2 and a molecular weight of 378.21 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID79669669
Molecular FormulaC12H19IN4O2
Molecular Weight378.21 g/mol
Exact Mass378.06
IUPAC Name2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCN1CCOC(c2nc(N)c(I)c(COC)n2)C1
InChIInChI=1S/C12H19IN4O2/c1-3-17-4-5-19-9(6-17)12-15-8(7-18-2)10(13)11(14)16-12/h9H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyKNRWWQRBJOGRPV-UHFFFAOYSA-N
XLogP1.20
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine (CID 79669669) is 2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine is CCN1CCOC(c2nc(N)c(I)c(COC)n2)C1.
What is the InChIKey of 2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is KNRWWQRBJOGRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4O2/c1-3-17-4-5-19-9(6-17)12-15-8(7-18-2)10(13)11(14)16-12/h9H,3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 378.21 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 79669669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).