N-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine

C10H12F3N6OP — CID 178103510

IUPACN-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(C(F)(F)F)nc(OCc2cn(PC)nn2)n1
InChIInChI=1S/C10H12F3N6OP/c1-14-8-3-7(10(11,12)13)15-9(16-8)20-5-6-4-19(21-2)18-17-6/h3-4,21H,5H2,1-2H3,(H,14,15,16)
InChIKeyGLQYROCKVQKEAY-UHFFFAOYSA-N
MW320.22 g/mol
LogP1.78
Rot. Bonds5

About N-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine

N-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 178103510) has the molecular formula C10H12F3N6OP and a molecular weight of 320.22 g/mol. Its IUPAC name is N-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID178103510
Molecular FormulaC10H12F3N6OP
Molecular Weight320.22 g/mol
Exact Mass320.08
IUPAC NameN-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(C(F)(F)F)nc(OCc2cn(PC)nn2)n1
InChIInChI=1S/C10H12F3N6OP/c1-14-8-3-7(10(11,12)13)15-9(16-8)20-5-6-4-19(21-2)18-17-6/h3-4,21H,5H2,1-2H3,(H,14,15,16)
InChIKeyGLQYROCKVQKEAY-UHFFFAOYSA-N
XLogP1.78
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine (CID 178103510) is N-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(C(F)(F)F)nc(OCc2cn(PC)nn2)n1.
What is the InChIKey of N-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is GLQYROCKVQKEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N6OP/c1-14-8-3-7(10(11,12)13)15-9(16-8)20-5-6-4-19(21-2)18-17-6/h3-4,21H,5H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 320.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1-methylphosphanyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 178103510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).