6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C9H12F3N3O — CID 79964162

IUPAC6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(CCC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-16-5-6-4-7(13)15-8(14-6)2-3-9(10,11)12/h4H,2-3,5H2,1H3,(H2,13,14,15)
InChIKeyXUWUZYQWXVVLGB-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.70
Rot. Bonds4

About 6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 79964162) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID79964162
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(CCC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-16-5-6-4-7(13)15-8(14-6)2-3-9(10,11)12/h4H,2-3,5H2,1H3,(H2,13,14,15)
InChIKeyXUWUZYQWXVVLGB-UHFFFAOYSA-N
XLogP1.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 79964162) is 6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is COCc1cc(N)nc(CCC(F)(F)F)n1.
What is the InChIKey of 6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is XUWUZYQWXVVLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-16-5-6-4-7(13)15-8(14-6)2-3-9(10,11)12/h4H,2-3,5H2,1H3,(H2,13,14,15).
What are the key properties of 6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 235.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 79964162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).