N-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide

C13H20F3N7O2 — CID 123210887

IUPACN-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(OC(C)C(F)(F)F)nc(NN)c2N)C1
InChIInChI=1S/C13H20F3N7O2/c1-6(13(14,15)16)25-12-20-10(22-18)9(17)11(21-12)23-4-3-8(5-23)19-7(2)24/h6,8H,3-5,17-18H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyIWBNPCCGNQROSM-UHFFFAOYSA-N
MW363.34 g/mol
LogP0.39
Rot. Bonds5

About N-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide

N-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide (PubChem CID 123210887) has the molecular formula C13H20F3N7O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
PubChem CID123210887
Molecular FormulaC13H20F3N7O2
Molecular Weight363.34 g/mol
Exact Mass363.16
IUPAC NameN-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(OC(C)C(F)(F)F)nc(NN)c2N)C1
InChIInChI=1S/C13H20F3N7O2/c1-6(13(14,15)16)25-12-20-10(22-18)9(17)11(21-12)23-4-3-8(5-23)19-7(2)24/h6,8H,3-5,17-18H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyIWBNPCCGNQROSM-UHFFFAOYSA-N
XLogP0.39
TPSA131.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide (CID 123210887) is N-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2nc(OC(C)C(F)(F)F)nc(NN)c2N)C1.
What is the InChIKey of N-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is IWBNPCCGNQROSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N7O2/c1-6(13(14,15)16)25-12-20-10(22-18)9(17)11(21-12)23-4-3-8(5-23)19-7(2)24/h6,8H,3-5,17-18H2,1-2H3,(H,19,24)(H,20,21,22).
What are the key properties of N-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
N-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 363.34 g/mol, XLogP of 0.39, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-amino-6-hydrazinyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 123210887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).