N-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine

C11H15F3N4O3S — CID 141126384

IUPACN-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCS(=O)(=O)N1CCOC[C@H]1CNc1ncncc1C(F)(F)F
InChIInChI=1S/C11H15F3N4O3S/c1-22(19,20)18-2-3-21-6-8(18)4-16-10-9(11(12,13)14)5-15-7-17-10/h5,7-8H,2-4,6H2,1H3,(H,15,16,17)/t8-/m1/s1
InChIKeyOGFAVEQMAZCZCN-MRVPVSSYSA-N
MW340.33 g/mol
LogP0.57
Rot. Bonds4

About N-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine

N-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 141126384) has the molecular formula C11H15F3N4O3S and a molecular weight of 340.33 g/mol. Its IUPAC name is N-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID141126384
Molecular FormulaC11H15F3N4O3S
Molecular Weight340.33 g/mol
Exact Mass340.08
IUPAC NameN-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCS(=O)(=O)N1CCOC[C@H]1CNc1ncncc1C(F)(F)F
InChIInChI=1S/C11H15F3N4O3S/c1-22(19,20)18-2-3-21-6-8(18)4-16-10-9(11(12,13)14)5-15-7-17-10/h5,7-8H,2-4,6H2,1H3,(H,15,16,17)/t8-/m1/s1
InChIKeyOGFAVEQMAZCZCN-MRVPVSSYSA-N
XLogP0.57
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine (CID 141126384) is N-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine is CS(=O)(=O)N1CCOC[C@H]1CNc1ncncc1C(F)(F)F.
What is the InChIKey of N-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OGFAVEQMAZCZCN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F3N4O3S/c1-22(19,20)18-2-3-21-6-8(18)4-16-10-9(11(12,13)14)5-15-7-17-10/h5,7-8H,2-4,6H2,1H3,(H,15,16,17)/t8-/m1/s1.
What are the key properties of N-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine?
N-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 340.33 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 141126384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).