ethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine

C21H31N5 — CID 160575204

IUPACethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine
SMILESCC.CC.Cc1nc(N(C)C)nc(-c2ccccc2)c1-c1nccn1C
InChIInChI=1S/C17H19N5.2C2H6/c1-12-14(16-18-10-11-22(16)4)15(13-8-6-5-7-9-13)20-17(19-12)21(2)3;2*1-2/h5-11H,1-4H3;2*1-2H3
InChIKeyRBBBPFSAXJGQAO-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.97
Rot. Bonds3

About ethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine

ethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine (PubChem CID 160575204) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is ethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Nameethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine
PubChem CID160575204
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Nameethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine
SMILESCC.CC.Cc1nc(N(C)C)nc(-c2ccccc2)c1-c1nccn1C
InChIInChI=1S/C17H19N5.2C2H6/c1-12-14(16-18-10-11-22(16)4)15(13-8-6-5-7-9-13)20-17(19-12)21(2)3;2*1-2/h5-11H,1-4H3;2*1-2H3
InChIKeyRBBBPFSAXJGQAO-UHFFFAOYSA-N
XLogP4.97
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-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 ethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine?
The IUPAC name of ethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine (CID 160575204) is ethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for ethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for ethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine is CC.CC.Cc1nc(N(C)C)nc(-c2ccccc2)c1-c1nccn1C.
What is the InChIKey of ethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine?
The InChIKey is RBBBPFSAXJGQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5.2C2H6/c1-12-14(16-18-10-11-22(16)4)15(13-8-6-5-7-9-13)20-17(19-12)21(2)3;2*1-2/h5-11H,1-4H3;2*1-2H3.
What are the key properties of ethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine?
ethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine has a molecular weight of 353.51 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,4-trimethyl-5-(1-methylimidazol-2-yl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 160575204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).