2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C11H15F3N4O — CID 114564200

IUPAC2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-15-10-17-8(11(12,13)14)6-9(18-10)16-7-2-4-19-5-3-7/h6-7H,2-5H2,1H3,(H2,15,16,17,18)
InChIKeyUEEGZNVOVKLNBR-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.13
Rot. Bonds3

About 2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564200) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564200
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-15-10-17-8(11(12,13)14)6-9(18-10)16-7-2-4-19-5-3-7/h6-7H,2-5H2,1H3,(H2,15,16,17,18)
InChIKeyUEEGZNVOVKLNBR-UHFFFAOYSA-N
XLogP2.13
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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 2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564200) is 2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(NC2CCOCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is UEEGZNVOVKLNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-15-10-17-8(11(12,13)14)6-9(18-10)16-7-2-4-19-5-3-7/h6-7H,2-5H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 276.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).