N,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine

C16H18F3N5O — CID 124979928

IUPACN,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine
SMILESCN(C)c1nccnc1[C@H]1CN(c2ccc(C(F)(F)F)cn2)CCO1
InChIInChI=1S/C16H18F3N5O/c1-23(2)15-14(20-5-6-21-15)12-10-24(7-8-25-12)13-4-3-11(9-22-13)16(17,18)19/h3-6,9,12H,7-8,10H2,1-2H3/t12-/m1/s1
InChIKeyMFDWWPWDDMVPBI-GFCCVEGCSA-N
MW353.35 g/mol
LogP2.53
Rot. Bonds3

About N,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine

N,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine (PubChem CID 124979928) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine
PubChem CID124979928
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC NameN,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine
SMILESCN(C)c1nccnc1[C@H]1CN(c2ccc(C(F)(F)F)cn2)CCO1
InChIInChI=1S/C16H18F3N5O/c1-23(2)15-14(20-5-6-21-15)12-10-24(7-8-25-12)13-4-3-11(9-22-13)16(17,18)19/h3-6,9,12H,7-8,10H2,1-2H3/t12-/m1/s1
InChIKeyMFDWWPWDDMVPBI-GFCCVEGCSA-N
XLogP2.53
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine?
The IUPAC name of N,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine (CID 124979928) is N,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine is CN(C)c1nccnc1[C@H]1CN(c2ccc(C(F)(F)F)cn2)CCO1.
What is the InChIKey of N,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine?
The InChIKey is MFDWWPWDDMVPBI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-23(2)15-14(20-5-6-21-15)12-10-24(7-8-25-12)13-4-3-11(9-22-13)16(17,18)19/h3-6,9,12H,7-8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of N,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine?
N,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine has a molecular weight of 353.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2R)-4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]pyrazin-2-amine is sourced from PubChem (CID 124979928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).