2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol

C14H19N5O2 — CID 97405879

IUPAC2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol
SMILESOCCOCc1ncn2c1CN(c1ncccn1)CCC2
InChIInChI=1S/C14H19N5O2/c20-7-8-21-10-12-13-9-18(14-15-3-1-4-16-14)5-2-6-19(13)11-17-12/h1,3-4,11,20H,2,5-10H2
InChIKeyIUOYOTUGUVDHJN-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.59
Rot. Bonds5

About 2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol

2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol (PubChem CID 97405879) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol.

Molecular Properties

Compound Name2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol
PubChem CID97405879
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol
SMILESOCCOCc1ncn2c1CN(c1ncccn1)CCC2
InChIInChI=1S/C14H19N5O2/c20-7-8-21-10-12-13-9-18(14-15-3-1-4-16-14)5-2-6-19(13)11-17-12/h1,3-4,11,20H,2,5-10H2
InChIKeyIUOYOTUGUVDHJN-UHFFFAOYSA-N
XLogP0.59
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-Pyrimidin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanol
CID 97517026
3-(Cyclopropylmethoxymethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
CID 97519075
2-[[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]-N,N-dimethylethanamine
CID 97520030
2-[[8-(6-Methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanol
CID 97520044
2-[(5-Pyrimidin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]ethanol;2,2,2-trifluoroacetic acid
CID 118742626
2-[[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]-N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 118743123
1-(Cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97405884
2-[[8-(5-Fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanol
CID 97520045
2-[[8-[(1-Methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanol
CID 97381661
N,N-dimethyl-2-[(5-pyrimidin-2-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-3-yl)methoxy]acetamide
CID 97410134
2-[[8-(5-Methylpyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanol
CID 97520046
5-Pyrimidin-2-yl-3-(2-pyrrolidin-1-ylethoxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
CID 97413552

Frequently Asked Questions

What is the IUPAC name of 2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol?
The IUPAC name of 2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol (CID 97405879) is 2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol.
What is the SMILES notation for 2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol?
The canonical SMILES for 2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol is OCCOCc1ncn2c1CN(c1ncccn1)CCC2.
What is the InChIKey of 2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol?
The InChIKey is IUOYOTUGUVDHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c20-7-8-21-10-12-13-9-18(14-15-3-1-4-16-14)5-2-6-19(13)11-17-12/h1,3-4,11,20H,2,5-10H2.
What are the key properties of 2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol?
2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol has a molecular weight of 289.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl)methoxy]ethanol is sourced from PubChem (CID 97405879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).