4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine

C10H13F3N4O — CID 70779694

IUPAC4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCOC(C(F)(F)F)C2)nc(N)n1
InChIInChI=1S/C10H13F3N4O/c1-6-4-8(16-9(14)15-6)17-2-3-18-7(5-17)10(11,12)13/h4,7H,2-3,5H2,1H3,(H2,14,15,16)
InChIKeyPYWVZTKPCXUONH-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.13
Rot. Bonds1

About 4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine

4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine (PubChem CID 70779694) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
PubChem CID70779694
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCOC(C(F)(F)F)C2)nc(N)n1
InChIInChI=1S/C10H13F3N4O/c1-6-4-8(16-9(14)15-6)17-2-3-18-7(5-17)10(11,12)13/h4,7H,2-3,5H2,1H3,(H2,14,15,16)
InChIKeyPYWVZTKPCXUONH-UHFFFAOYSA-N
XLogP1.13
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine (CID 70779694) is 4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine is Cc1cc(N2CCOC(C(F)(F)F)C2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
The InChIKey is PYWVZTKPCXUONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-6-4-8(16-9(14)15-6)17-2-3-18-7(5-17)10(11,12)13/h4,7H,2-3,5H2,1H3,(H2,14,15,16).
What are the key properties of 4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine has a molecular weight of 262.23 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 70779694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).