1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol

C18H24N6O — CID 68714189

IUPAC1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol
SMILESCC(C)CC(C)(C)C(O)(Nc1ncccn1)c1cnc2cnccn12
InChIInChI=1S/C18H24N6O/c1-13(2)10-17(3,4)18(25,23-16-20-6-5-7-21-16)14-11-22-15-12-19-8-9-24(14)15/h5-9,11-13,25H,10H2,1-4H3,(H,20,21,23)
InChIKeyFTKZUPXRAUTCLS-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.85
Rot. Bonds6

About 1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol

1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol (PubChem CID 68714189) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol
PubChem CID68714189
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol
SMILESCC(C)CC(C)(C)C(O)(Nc1ncccn1)c1cnc2cnccn12
InChIInChI=1S/C18H24N6O/c1-13(2)10-17(3,4)18(25,23-16-20-6-5-7-21-16)14-11-22-15-12-19-8-9-24(14)15/h5-9,11-13,25H,10H2,1-4H3,(H,20,21,23)
InChIKeyFTKZUPXRAUTCLS-UHFFFAOYSA-N
XLogP2.85
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol?
The IUPAC name of 1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol (CID 68714189) is 1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol.
What is the SMILES notation for 1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol?
The canonical SMILES for 1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol is CC(C)CC(C)(C)C(O)(Nc1ncccn1)c1cnc2cnccn12.
What is the InChIKey of 1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol?
The InChIKey is FTKZUPXRAUTCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13(2)10-17(3,4)18(25,23-16-20-6-5-7-21-16)14-11-22-15-12-19-8-9-24(14)15/h5-9,11-13,25H,10H2,1-4H3,(H,20,21,23).
What are the key properties of 1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol?
1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol has a molecular weight of 340.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyrazin-3-yl-2,2,4-trimethyl-1-(pyrimidin-2-ylamino)pentan-1-ol is sourced from PubChem (CID 68714189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).