2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol

C15H20N6O — CID 153331198

IUPAC2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol
SMILES[H]/N=C/c1ncc(-c2nccc(N3CCC(CCO)CC3)n2)[nH]1
InChIInChI=1S/C15H20N6O/c16-9-13-18-10-12(19-13)15-17-5-1-14(20-15)21-6-2-11(3-7-21)4-8-22/h1,5,9-11,16,22H,2-4,6-8H2,(H,18,19)/b16-9+
InChIKeyWJYFIEFBVPZPKV-CXUHLZMHSA-N
MW300.37 g/mol
LogP1.46
Rot. Bonds5

About 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol

2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol (PubChem CID 153331198) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol
PubChem CID153331198
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol
SMILES[H]/N=C/c1ncc(-c2nccc(N3CCC(CCO)CC3)n2)[nH]1
InChIInChI=1S/C15H20N6O/c16-9-13-18-10-12(19-13)15-17-5-1-14(20-15)21-6-2-11(3-7-21)4-8-22/h1,5,9-11,16,22H,2-4,6-8H2,(H,18,19)/b16-9+
InChIKeyWJYFIEFBVPZPKV-CXUHLZMHSA-N
XLogP1.46
TPSA101.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol 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-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol (CID 153331198) is 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol is [H]/N=C/c1ncc(-c2nccc(N3CCC(CCO)CC3)n2)[nH]1.
What is the InChIKey of 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol?
The InChIKey is WJYFIEFBVPZPKV-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H20N6O/c16-9-13-18-10-12(19-13)15-17-5-1-14(20-15)21-6-2-11(3-7-21)4-8-22/h1,5,9-11,16,22H,2-4,6-8H2,(H,18,19)/b16-9+.
What are the key properties of 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol?
2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol has a molecular weight of 300.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 153331198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).