5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine

C10H13F3IN3O2 — CID 103476310

IUPAC5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCNc1nc(COCC(F)(F)F)nc(COC)c1I
InChIInChI=1S/C10H13F3IN3O2/c1-15-9-8(14)6(3-18-2)16-7(17-9)4-19-5-10(11,12)13/h3-5H2,1-2H3,(H,15,16,17)
InChIKeyJTLRYFJSLDDRRU-UHFFFAOYSA-N
MW391.13 g/mol
LogP2.35
Rot. Bonds6

About 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine

5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (PubChem CID 103476310) has the molecular formula C10H13F3IN3O2 and a molecular weight of 391.13 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
PubChem CID103476310
Molecular FormulaC10H13F3IN3O2
Molecular Weight391.13 g/mol
Exact Mass391.00
IUPAC Name5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESCNc1nc(COCC(F)(F)F)nc(COC)c1I
InChIInChI=1S/C10H13F3IN3O2/c1-15-9-8(14)6(3-18-2)16-7(17-9)4-19-5-10(11,12)13/h3-5H2,1-2H3,(H,15,16,17)
InChIKeyJTLRYFJSLDDRRU-UHFFFAOYSA-N
XLogP2.35
TPSA56.27 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-methyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476269
N-ethyl-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150444
5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 66301389
2-tert-butyl-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66301388
2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66303641
5-iodo-6-(methoxymethyl)-N-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66301999
2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66302417
5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476257
N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103476353
5-iodo-6-(methoxymethyl)-N-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66303027
4-chloro-5-iodo-6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidine
CID 79954743
5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66304459

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (CID 103476310) is 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is CNc1nc(COCC(F)(F)F)nc(COC)c1I.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The InChIKey is JTLRYFJSLDDRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3IN3O2/c1-15-9-8(14)6(3-18-2)16-7(17-9)4-19-5-10(11,12)13/h3-5H2,1-2H3,(H,15,16,17).
What are the key properties of 5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine has a molecular weight of 391.13 g/mol, XLogP of 2.35, 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)-N-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 103476310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).