6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine

C11H15F3N3OP — CID 118964004

IUPAC6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(NCP)nc(N2CCOCC2)c1
InChIInChI=1S/C11H15F3N3OP/c12-11(13,14)8-5-9(15-7-19)16-10(6-8)17-1-3-18-4-2-17/h5-6H,1-4,7,19H2,(H,15,16)
InChIKeyBMHNFXQWCMLELM-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.18
Rot. Bonds3

About 6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine

6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 118964004) has the molecular formula C11H15F3N3OP and a molecular weight of 293.23 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID118964004
Molecular FormulaC11H15F3N3OP
Molecular Weight293.23 g/mol
Exact Mass293.09
IUPAC Name6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(NCP)nc(N2CCOCC2)c1
InChIInChI=1S/C11H15F3N3OP/c12-11(13,14)8-5-9(15-7-19)16-10(6-8)17-1-3-18-4-2-17/h5-6H,1-4,7,19H2,(H,15,16)
InChIKeyBMHNFXQWCMLELM-UHFFFAOYSA-N
XLogP2.18
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 118964004) is 6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(NCP)nc(N2CCOCC2)c1.
What is the InChIKey of 6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BMHNFXQWCMLELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N3OP/c12-11(13,14)8-5-9(15-7-19)16-10(6-8)17-1-3-18-4-2-17/h5-6H,1-4,7,19H2,(H,15,16).
What are the key properties of 6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 293.23 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-(phosphanylmethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 118964004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).