5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine

C17H20N6 — CID 141089686

IUPAC5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine
SMILESCCc1cnc(Nc2ccccc2)nc1NCCc1cnc[nH]1
InChIInChI=1S/C17H20N6/c1-2-13-10-20-17(22-14-6-4-3-5-7-14)23-16(13)19-9-8-15-11-18-12-21-15/h3-7,10-12H,2,8-9H2,1H3,(H,18,21)(H2,19,20,22,23)
InChIKeyBQAMUVQFMLULJR-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.16
Rot. Bonds7

About 5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine

5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 141089686) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine
PubChem CID141089686
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine
SMILESCCc1cnc(Nc2ccccc2)nc1NCCc1cnc[nH]1
InChIInChI=1S/C17H20N6/c1-2-13-10-20-17(22-14-6-4-3-5-7-14)23-16(13)19-9-8-15-11-18-12-21-15/h3-7,10-12H,2,8-9H2,1H3,(H,18,21)(H2,19,20,22,23)
InChIKeyBQAMUVQFMLULJR-UHFFFAOYSA-N
XLogP3.16
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine 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 5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine (CID 141089686) is 5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine is CCc1cnc(Nc2ccccc2)nc1NCCc1cnc[nH]1.
What is the InChIKey of 5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is BQAMUVQFMLULJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-2-13-10-20-17(22-14-6-4-3-5-7-14)23-16(13)19-9-8-15-11-18-12-21-15/h3-7,10-12H,2,8-9H2,1H3,(H,18,21)(H2,19,20,22,23).
What are the key properties of 5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine?
5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 141089686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).