2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine

C16H21N5 — CID 146489958

IUPAC2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine
SMILESCNC1=CCN(C)C(c2ccc(N3CC4CC4C3)nc2)=N1
InChIInChI=1S/C16H21N5/c1-17-14-5-6-20(2)16(19-14)11-3-4-15(18-8-11)21-9-12-7-13(12)10-21/h3-5,8,12-13,17H,6-7,9-10H2,1-2H3
InChIKeyBGNJWDBXYIFNNW-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.29
Rot. Bonds3

About 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine

2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine (PubChem CID 146489958) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine.

Molecular Properties

Compound Name2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine
PubChem CID146489958
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine
SMILESCNC1=CCN(C)C(c2ccc(N3CC4CC4C3)nc2)=N1
InChIInChI=1S/C16H21N5/c1-17-14-5-6-20(2)16(19-14)11-3-4-15(18-8-11)21-9-12-7-13(12)10-21/h3-5,8,12-13,17H,6-7,9-10H2,1-2H3
InChIKeyBGNJWDBXYIFNNW-UHFFFAOYSA-N
XLogP1.29
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine 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 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine?
The IUPAC name of 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine (CID 146489958) is 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine.
What is the SMILES notation for 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine?
The canonical SMILES for 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine is CNC1=CCN(C)C(c2ccc(N3CC4CC4C3)nc2)=N1.
What is the InChIKey of 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine?
The InChIKey is BGNJWDBXYIFNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-17-14-5-6-20(2)16(19-14)11-3-4-15(18-8-11)21-9-12-7-13(12)10-21/h3-5,8,12-13,17H,6-7,9-10H2,1-2H3.
What are the key properties of 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine?
2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine has a molecular weight of 283.38 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N,3-dimethyl-4H-pyrimidin-6-amine is sourced from PubChem (CID 146489958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).