1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol

C10H13F3N6O2 — CID 123566565

IUPAC1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol
SMILES[H]/N=N/c1c(N)nc(OCC(F)(F)F)nc1N1CCC(O)C1
InChIInChI=1S/C10H13F3N6O2/c11-10(12,13)4-21-9-16-7(14)6(18-15)8(17-9)19-2-1-5(20)3-19/h5,15,20H,1-4H2,(H2,14,16,17)/b18-15+
InChIKeyJESQMOJAKOVQJM-OBGWFSINSA-N
MW306.25 g/mol
LogP1.23
Rot. Bonds4

About 1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol

1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 123566565) has the molecular formula C10H13F3N6O2 and a molecular weight of 306.25 g/mol. Its IUPAC name is 1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID123566565
Molecular FormulaC10H13F3N6O2
Molecular Weight306.25 g/mol
Exact Mass306.11
IUPAC Name1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol
SMILES[H]/N=N/c1c(N)nc(OCC(F)(F)F)nc1N1CCC(O)C1
InChIInChI=1S/C10H13F3N6O2/c11-10(12,13)4-21-9-16-7(14)6(18-15)8(17-9)19-2-1-5(20)3-19/h5,15,20H,1-4H2,(H2,14,16,17)/b18-15+
InChIKeyJESQMOJAKOVQJM-OBGWFSINSA-N
XLogP1.23
TPSA120.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol (CID 123566565) is 1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol is [H]/N=N/c1c(N)nc(OCC(F)(F)F)nc1N1CCC(O)C1.
What is the InChIKey of 1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is JESQMOJAKOVQJM-OBGWFSINSA-N. The full InChI is InChI=1S/C10H13F3N6O2/c11-10(12,13)4-21-9-16-7(14)6(18-15)8(17-9)19-2-1-5(20)3-19/h5,15,20H,1-4H2,(H2,14,16,17)/b18-15+.
What are the key properties of 1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 306.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 123566565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).