N-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine

C11H14F3N3O2 — CID 155973970

IUPACN-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CC1COCCO1)c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C11H14F3N3O2/c1-17(5-8-6-18-2-3-19-8)10-4-9(11(12,13)14)15-7-16-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyNVZRFUVNWYFKQQ-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.35
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine

N-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 155973970) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID155973970
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CC1COCCO1)c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C11H14F3N3O2/c1-17(5-8-6-18-2-3-19-8)10-4-9(11(12,13)14)15-7-16-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyNVZRFUVNWYFKQQ-UHFFFAOYSA-N
XLogP1.35
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 155973970) is N-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is CN(CC1COCCO1)c1cc(C(F)(F)F)ncn1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is NVZRFUVNWYFKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-17(5-8-6-18-2-3-19-8)10-4-9(11(12,13)14)15-7-16-10/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 277.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 155973970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).