N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C13H17F3N4O — CID 95305722

IUPACN-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NC[C@H]2CN(C3CC3)CCO2)n1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)11-3-4-17-12(19-11)18-7-10-8-20(5-6-21-10)9-1-2-9/h3-4,9-10H,1-2,5-8H2,(H,17,18,19)/t10-/m0/s1
InChIKeyQQMNORWSEOYBCW-JTQLQIEISA-N
MW302.30 g/mol
LogP1.77
Rot. Bonds4

About N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 95305722) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID95305722
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC NameN-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NC[C@H]2CN(C3CC3)CCO2)n1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)11-3-4-17-12(19-11)18-7-10-8-20(5-6-21-10)9-1-2-9/h3-4,9-10H,1-2,5-8H2,(H,17,18,19)/t10-/m0/s1
InChIKeyQQMNORWSEOYBCW-JTQLQIEISA-N
XLogP1.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 95305722) is N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NC[C@H]2CN(C3CC3)CCO2)n1.
What is the InChIKey of N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QQMNORWSEOYBCW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)11-3-4-17-12(19-11)18-7-10-8-20(5-6-21-10)9-1-2-9/h3-4,9-10H,1-2,5-8H2,(H,17,18,19)/t10-/m0/s1.
What are the key properties of N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 302.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 95305722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).