N-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine

C12H17F3N4O — CID 56872561

IUPACN-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
SMILESCC(C)Nc1ccnc(N2CCOC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H17F3N4O/c1-8(2)17-10-3-4-16-11(18-10)19-5-6-20-9(7-19)12(13,14)15/h3-4,8-9H,5-7H2,1-2H3,(H,16,17,18)
InChIKeyNPJYIBOLMZPECW-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.06
Rot. Bonds3

About N-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine

N-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine (PubChem CID 56872561) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
PubChem CID56872561
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
SMILESCC(C)Nc1ccnc(N2CCOC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H17F3N4O/c1-8(2)17-10-3-4-16-11(18-10)19-5-6-20-9(7-19)12(13,14)15/h3-4,8-9H,5-7H2,1-2H3,(H,16,17,18)
InChIKeyNPJYIBOLMZPECW-UHFFFAOYSA-N
XLogP2.06
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine (CID 56872561) is N-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine is CC(C)Nc1ccnc(N2CCOC(C(F)(F)F)C2)n1.
What is the InChIKey of N-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
The InChIKey is NPJYIBOLMZPECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-8(2)17-10-3-4-16-11(18-10)19-5-6-20-9(7-19)12(13,14)15/h3-4,8-9H,5-7H2,1-2H3,(H,16,17,18).
What are the key properties of N-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
N-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine has a molecular weight of 290.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 56872561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).