[3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol

C16H17N3O2 — CID 167794160

IUPAC[3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol
SMILESOCC12CC1CN(c1nccc(Oc3ccccc3)n1)C2
InChIInChI=1S/C16H17N3O2/c20-11-16-8-12(16)9-19(10-16)15-17-7-6-14(18-15)21-13-4-2-1-3-5-13/h1-7,12,20H,8-11H2
InChIKeyLOYMZNQLYAQYHB-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.09
Rot. Bonds4

About [3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol

[3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol (PubChem CID 167794160) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol.

Molecular Properties

Compound Name[3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol
PubChem CID167794160
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name[3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol
SMILESOCC12CC1CN(c1nccc(Oc3ccccc3)n1)C2
InChIInChI=1S/C16H17N3O2/c20-11-16-8-12(16)9-19(10-16)15-17-7-6-14(18-15)21-13-4-2-1-3-5-13/h1-7,12,20H,8-11H2
InChIKeyLOYMZNQLYAQYHB-UHFFFAOYSA-N
XLogP2.09
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-phenoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 122047372
(1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane
CID 123465502
4-benzyl-3-ethyl-1-(4-methoxypyrimidin-2-yl)-1,4-diazepan-5-one
CID 56868757
3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 124889413
[(3aR,7aR)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137343826
(3aS,6aR)-2-(4-methoxypyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063579
1-[[1-(4-phenoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid
CID 167903166
2-fluoro-4-phenoxypyrimidine
CID 54296073
4-phenoxy-2-pyrimidin-2-ylpyrimidine
CID 152601729
1-adamantyl-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 56575339
3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol
CID 75511384
1-(4-phenylmethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048489

Frequently Asked Questions

What is the IUPAC name of [3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol?
The IUPAC name of [3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol (CID 167794160) is [3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol.
What is the SMILES notation for [3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol?
The canonical SMILES for [3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol is OCC12CC1CN(c1nccc(Oc3ccccc3)n1)C2.
What is the InChIKey of [3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol?
The InChIKey is LOYMZNQLYAQYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-11-16-8-12(16)9-19(10-16)15-17-7-6-14(18-15)21-13-4-2-1-3-5-13/h1-7,12,20H,8-11H2.
What are the key properties of [3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol?
[3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol has a molecular weight of 283.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol is sourced from PubChem (CID 167794160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).