4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C8H11F3N4O — CID 141176470

IUPAC4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-16-3-2-13-6-5(8(9,10)11)4-14-7(12)15-6/h4H,2-3H2,1H3,(H3,12,13,14,15)
InChIKeyFAARGGWCWOUONK-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.14
Rot. Bonds4

About 4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 141176470) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID141176470
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-16-3-2-13-6-5(8(9,10)11)4-14-7(12)15-6/h4H,2-3H2,1H3,(H3,12,13,14,15)
InChIKeyFAARGGWCWOUONK-UHFFFAOYSA-N
XLogP1.14
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 141176470) is 4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is COCCNc1nc(N)ncc1C(F)(F)F.
What is the InChIKey of 4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is FAARGGWCWOUONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-16-3-2-13-6-5(8(9,10)11)4-14-7(12)15-6/h4H,2-3H2,1H3,(H3,12,13,14,15).
What are the key properties of 4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 236.20 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 141176470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).