1-imidazo[1,2-a]pyrazin-3-yl-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol

C19H26N6O — CID 68714052

IUPAC1-imidazo[1,2-a]pyrazin-3-yl-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol
SMILESCC(C)CCC(C)(C)C(O)(Nc1ncccn1)c1cnc2cnccn12
InChIInChI=1S/C19H26N6O/c1-14(2)6-7-18(3,4)19(26,24-17-21-8-5-9-22-17)15-12-23-16-13-20-10-11-25(15)16/h5,8-14,26H,6-7H2,1-4H3,(H,21,22,24)
InChIKeyBLHRCXFDVCQHJM-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.24
Rot. Bonds7

About 1-imidazo[1,2-a]pyrazin-3-yl-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol

1-imidazo[1,2-a]pyrazin-3-yl-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol (PubChem CID 68714052) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyrazin-3-yl-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyrazin-3-yl-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol
PubChem CID68714052
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name1-imidazo[1,2-a]pyrazin-3-yl-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol
SMILESCC(C)CCC(C)(C)C(O)(Nc1ncccn1)c1cnc2cnccn12
InChIInChI=1S/C19H26N6O/c1-14(2)6-7-18(3,4)19(26,24-17-21-8-5-9-22-17)15-12-23-16-13-20-10-11-25(15)16/h5,8-14,26H,6-7H2,1-4H3,(H,21,22,24)
InChIKeyBLHRCXFDVCQHJM-UHFFFAOYSA-N
XLogP3.24
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.24
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-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol?
The IUPAC name of 1-imidazo[1,2-a]pyrazin-3-yl-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol (CID 68714052) is 1-imidazo[1,2-a]pyrazin-3-yl-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol.
What is the SMILES notation for 1-imidazo[1,2-a]pyrazin-3-yl-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol?
The canonical SMILES for 1-imidazo[1,2-a]pyrazin-3-yl-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol is CC(C)CCC(C)(C)C(O)(Nc1ncccn1)c1cnc2cnccn12.
What is the InChIKey of 1-imidazo[1,2-a]pyrazin-3-yl-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol?
The InChIKey is BLHRCXFDVCQHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14(2)6-7-18(3,4)19(26,24-17-21-8-5-9-22-17)15-12-23-16-13-20-10-11-25(15)16/h5,8-14,26H,6-7H2,1-4H3,(H,21,22,24).
What are the key properties of 1-imidazo[1,2-a]pyrazin-3-yl-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol?
1-imidazo[1,2-a]pyrazin-3-yl-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol has a molecular weight of 354.46 g/mol, XLogP of 3.24, 7 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-2,2,5-trimethyl-1-(pyrimidin-2-ylamino)hexan-1-ol is sourced from PubChem (CID 68714052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).