6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C11H15F3N4O — CID 106770546

IUPAC6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCC2CCCO2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-15-8-5-9(16-6-7-3-2-4-19-7)18-10(17-8)11(12,13)14/h5,7H,2-4,6H2,1H3,(H2,15,16,17,18)
InChIKeyWVOYRLJQSGDWIW-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.13
Rot. Bonds4

About 6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770546) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770546
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCC2CCCO2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-15-8-5-9(16-6-7-3-2-4-19-7)18-10(17-8)11(12,13)14/h5,7H,2-4,6H2,1H3,(H2,15,16,17,18)
InChIKeyWVOYRLJQSGDWIW-UHFFFAOYSA-N
XLogP2.13
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770546) is 6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NCC2CCCO2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is WVOYRLJQSGDWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-15-8-5-9(16-6-7-3-2-4-19-7)18-10(17-8)11(12,13)14/h5,7H,2-4,6H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 276.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).