[(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol

C16H22N4O2 — CID 126807222

IUPAC[(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol
SMILESOC[C@H]1C=C[C@@H](Nc2nccnc2N[C@@H]2C=C[C@H](CO)C2)C1
InChIInChI=1S/C16H22N4O2/c21-9-11-1-3-13(7-11)19-15-16(18-6-5-17-15)20-14-4-2-12(8-14)10-22/h1-6,11-14,21-22H,7-10H2,(H,17,19)(H,18,20)/t11-,12-,13+,14+/m0/s1
InChIKeyFVMXSVYDCRBXIS-IGQOVBAYSA-N
MW302.38 g/mol
LogP1.17
Rot. Bonds6

About [(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol (PubChem CID 126807222) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol
PubChem CID126807222
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol
SMILESOC[C@H]1C=C[C@@H](Nc2nccnc2N[C@@H]2C=C[C@H](CO)C2)C1
InChIInChI=1S/C16H22N4O2/c21-9-11-1-3-13(7-11)19-15-16(18-6-5-17-15)20-14-4-2-12(8-14)10-22/h1-6,11-14,21-22H,7-10H2,(H,17,19)(H,18,20)/t11-,12-,13+,14+/m0/s1
InChIKeyFVMXSVYDCRBXIS-IGQOVBAYSA-N
XLogP1.17
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol 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 [(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol (CID 126807222) is [(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol is OC[C@H]1C=C[C@@H](Nc2nccnc2N[C@@H]2C=C[C@H](CO)C2)C1.
What is the InChIKey of [(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol?
The InChIKey is FVMXSVYDCRBXIS-IGQOVBAYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-9-11-1-3-13(7-11)19-15-16(18-6-5-17-15)20-14-4-2-12(8-14)10-22/h1-6,11-14,21-22H,7-10H2,(H,17,19)(H,18,20)/t11-,12-,13+,14+/m0/s1.
What are the key properties of [(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol has a molecular weight of 302.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 126807222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).