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

C12H17F3N4O — CID 56869376

IUPACN-ethyl-N-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
SMILESCCN(C)c1cc(N2CCOC(C(F)(F)F)C2)ncn1
InChIInChI=1S/C12H17F3N4O/c1-3-18(2)10-6-11(17-8-16-10)19-4-5-20-9(7-19)12(13,14)15/h6,8-9H,3-5,7H2,1-2H3
InChIKeyJVFSEOITSNILQE-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.70
Rot. Bonds3

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

N-ethyl-N-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine (PubChem CID 56869376) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-ethyl-N-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
PubChem CID56869376
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-ethyl-N-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
SMILESCCN(C)c1cc(N2CCOC(C(F)(F)F)C2)ncn1
InChIInChI=1S/C12H17F3N4O/c1-3-18(2)10-6-11(17-8-16-10)19-4-5-20-9(7-19)12(13,14)15/h6,8-9H,3-5,7H2,1-2H3
InChIKeyJVFSEOITSNILQE-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-N-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine (CID 56869376) is N-ethyl-N-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine is CCN(C)c1cc(N2CCOC(C(F)(F)F)C2)ncn1.
What is the InChIKey of N-ethyl-N-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
The InChIKey is JVFSEOITSNILQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-3-18(2)10-6-11(17-8-16-10)19-4-5-20-9(7-19)12(13,14)15/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine?
N-ethyl-N-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine has a molecular weight of 290.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 56869376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).