5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

C10H13F3IN3O2 — CID 103150440

IUPAC5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCOCc1nc(CCOCC(F)(F)F)nc(N)c1I
InChIInChI=1S/C10H13F3IN3O2/c1-18-4-6-8(14)9(15)17-7(16-6)2-3-19-5-10(11,12)13/h2-5H2,1H3,(H2,15,16,17)
InChIKeyIUVHXMLXXGOAJP-UHFFFAOYSA-N
MW391.13 g/mol
LogP1.93
Rot. Bonds6

About 5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 103150440) has the molecular formula C10H13F3IN3O2 and a molecular weight of 391.13 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID103150440
Molecular FormulaC10H13F3IN3O2
Molecular Weight391.13 g/mol
Exact Mass391.00
IUPAC Name5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCOCc1nc(CCOCC(F)(F)F)nc(N)c1I
InChIInChI=1S/C10H13F3IN3O2/c1-18-4-6-8(14)9(15)17-7(16-6)2-3-19-5-10(11,12)13/h2-5H2,1H3,(H2,15,16,17)
InChIKeyIUVHXMLXXGOAJP-UHFFFAOYSA-N
XLogP1.93
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.13
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 103150440) is 5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is COCc1nc(CCOCC(F)(F)F)nc(N)c1I.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is IUVHXMLXXGOAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3IN3O2/c1-18-4-6-8(14)9(15)17-7(16-6)2-3-19-5-10(11,12)13/h2-5H2,1H3,(H2,15,16,17).
What are the key properties of 5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 391.13 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103150440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).