6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C9H12F3N3O — CID 126848397

IUPAC6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCOCc1cc(NCC(F)(F)F)ncn1
InChIInChI=1S/C9H12F3N3O/c1-2-16-4-7-3-8(15-6-14-7)13-5-9(10,11)12/h3,6H,2,4-5H2,1H3,(H,13,14,15)
InChIKeySJJRTCRTIYVIHO-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.99
Rot. Bonds5

About 6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 126848397) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID126848397
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCOCc1cc(NCC(F)(F)F)ncn1
InChIInChI=1S/C9H12F3N3O/c1-2-16-4-7-3-8(15-6-14-7)13-5-9(10,11)12/h3,6H,2,4-5H2,1H3,(H,13,14,15)
InChIKeySJJRTCRTIYVIHO-UHFFFAOYSA-N
XLogP1.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 126848397) is 6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCOCc1cc(NCC(F)(F)F)ncn1.
What is the InChIKey of 6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is SJJRTCRTIYVIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-2-16-4-7-3-8(15-6-14-7)13-5-9(10,11)12/h3,6H,2,4-5H2,1H3,(H,13,14,15).
What are the key properties of 6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 235.21 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 126848397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).