6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C11H10F3N5O — CID 150428835

IUPAC6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2nc(N)nc(N)c2C(F)(F)F)cn1
InChIInChI=1S/C11H10F3N5O/c1-20-6-3-2-5(4-17-6)8-7(11(12,13)14)9(15)19-10(16)18-8/h2-4H,1H3,(H4,15,16,18,19)
InChIKeyHJISSOKSOWDIEV-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.73
Rot. Bonds2

About 6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 150428835) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID150428835
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2nc(N)nc(N)c2C(F)(F)F)cn1
InChIInChI=1S/C11H10F3N5O/c1-20-6-3-2-5(4-17-6)8-7(11(12,13)14)9(15)19-10(16)18-8/h2-4H,1H3,(H4,15,16,18,19)
InChIKeyHJISSOKSOWDIEV-UHFFFAOYSA-N
XLogP1.73
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 150428835) is 6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is COc1ccc(-c2nc(N)nc(N)c2C(F)(F)F)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is HJISSOKSOWDIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c1-20-6-3-2-5(4-17-6)8-7(11(12,13)14)9(15)19-10(16)18-8/h2-4H,1H3,(H4,15,16,18,19).
What are the key properties of 6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 285.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 150428835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).