N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C12H17F3N4O — CID 95313456

IUPACN-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCN1CCO[C@H](CNc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H17F3N4O/c1-2-19-5-6-20-9(8-19)7-17-11-16-4-3-10(18-11)12(13,14)15/h3-4,9H,2,5-8H2,1H3,(H,16,17,18)/t9-/m1/s1
InChIKeyBRWGFDMVCZTRCB-SECBINFHSA-N
MW290.29 g/mol
LogP1.63
Rot. Bonds4

About N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 95313456) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID95313456
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCN1CCO[C@H](CNc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H17F3N4O/c1-2-19-5-6-20-9(8-19)7-17-11-16-4-3-10(18-11)12(13,14)15/h3-4,9H,2,5-8H2,1H3,(H,16,17,18)/t9-/m1/s1
InChIKeyBRWGFDMVCZTRCB-SECBINFHSA-N
XLogP1.63
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 95313456) is N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is CCN1CCO[C@H](CNc2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is BRWGFDMVCZTRCB-SECBINFHSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-2-19-5-6-20-9(8-19)7-17-11-16-4-3-10(18-11)12(13,14)15/h3-4,9H,2,5-8H2,1H3,(H,16,17,18)/t9-/m1/s1.
What are the key properties of N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 290.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 95313456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).