6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C16H30N4O — CID 64792284

IUPAC6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCN1CCn2ccnc2C1
InChIInChI=1S/C16H30N4O/c1-14(2)18-16(3,13-21)6-4-5-8-19-10-11-20-9-7-17-15(20)12-19/h7,9,14,18,21H,4-6,8,10-13H2,1-3H3
InChIKeyYXJKXQOACJWXAD-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.62
Rot. Bonds8

About 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64792284) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64792284
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCN1CCn2ccnc2C1
InChIInChI=1S/C16H30N4O/c1-14(2)18-16(3,13-21)6-4-5-8-19-10-11-20-9-7-17-15(20)12-19/h7,9,14,18,21H,4-6,8,10-13H2,1-3H3
InChIKeyYXJKXQOACJWXAD-UHFFFAOYSA-N
XLogP1.62
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64792284) is 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCN1CCn2ccnc2C1.
What is the InChIKey of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is YXJKXQOACJWXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-14(2)18-16(3,13-21)6-4-5-8-19-10-11-20-9-7-17-15(20)12-19/h7,9,14,18,21H,4-6,8,10-13H2,1-3H3.
What are the key properties of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64792284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).