N-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide

C14H20F3N5O2 — CID 91817852

IUPACN-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C14H20F3N5O2/c1-10-19-11(14(15,16)17)9-12(20-10)21-4-6-22(7-5-21)13(23)18-3-8-24-2/h9H,3-8H2,1-2H3,(H,18,23)
InChIKeyOIHLIZINYCJWNF-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.28
Rot. Bonds4

About N-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide

N-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 91817852) has the molecular formula C14H20F3N5O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID91817852
Molecular FormulaC14H20F3N5O2
Molecular Weight347.34 g/mol
Exact Mass347.16
IUPAC NameN-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C14H20F3N5O2/c1-10-19-11(14(15,16)17)9-12(20-10)21-4-6-22(7-5-21)13(23)18-3-8-24-2/h9H,3-8H2,1-2H3,(H,18,23)
InChIKeyOIHLIZINYCJWNF-UHFFFAOYSA-N
XLogP1.28
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide (CID 91817852) is N-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide is COCCNC(=O)N1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is OIHLIZINYCJWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O2/c1-10-19-11(14(15,16)17)9-12(20-10)21-4-6-22(7-5-21)13(23)18-3-8-24-2/h9H,3-8H2,1-2H3,(H,18,23).
What are the key properties of N-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide?
N-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 91817852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).