N-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine

C15H19F3N6O2 — CID 167201445

IUPACN-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(NCc2cc(COCC3COCCN3)n[nH]2)nc1
InChIInChI=1S/C15H19F3N6O2/c16-15(17,18)10-4-20-14(21-5-10)22-6-11-3-12(24-23-11)7-26-9-13-8-25-2-1-19-13/h3-5,13,19H,1-2,6-9H2,(H,23,24)(H,20,21,22)
InChIKeyOEEKBIPNWUXVKQ-UHFFFAOYSA-N
MW372.35 g/mol
LogP1.34
Rot. Bonds7

About N-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine

N-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 167201445) has the molecular formula C15H19F3N6O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID167201445
Molecular FormulaC15H19F3N6O2
Molecular Weight372.35 g/mol
Exact Mass372.15
IUPAC NameN-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(NCc2cc(COCC3COCCN3)n[nH]2)nc1
InChIInChI=1S/C15H19F3N6O2/c16-15(17,18)10-4-20-14(21-5-10)22-6-11-3-12(24-23-11)7-26-9-13-8-25-2-1-19-13/h3-5,13,19H,1-2,6-9H2,(H,23,24)(H,20,21,22)
InChIKeyOEEKBIPNWUXVKQ-UHFFFAOYSA-N
XLogP1.34
TPSA96.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 167201445) is N-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cnc(NCc2cc(COCC3COCCN3)n[nH]2)nc1.
What is the InChIKey of N-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OEEKBIPNWUXVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O2/c16-15(17,18)10-4-20-14(21-5-10)22-6-11-3-12(24-23-11)7-26-9-13-8-25-2-1-19-13/h3-5,13,19H,1-2,6-9H2,(H,23,24)(H,20,21,22).
What are the key properties of N-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine?
N-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 372.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 167201445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).