(2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C16H19N5O2 — CID 171948779

IUPAC(2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)c1cnc(-n3ccnc3)nc1)C2
InChIInChI=1S/C16H19N5O2/c1-20-13-4-11(5-14(20)9-23-8-13)15(22)12-6-18-16(19-7-12)21-3-2-17-10-21/h2-3,6-7,10-11,13-14H,4-5,8-9H2,1H3
InChIKeyHVJRZPUYQCPZQF-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.95
Rot. Bonds3

About (2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

(2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171948779) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171948779
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)c1cnc(-n3ccnc3)nc1)C2
InChIInChI=1S/C16H19N5O2/c1-20-13-4-11(5-14(20)9-23-8-13)15(22)12-6-18-16(19-7-12)21-3-2-17-10-21/h2-3,6-7,10-11,13-14H,4-5,8-9H2,1H3
InChIKeyHVJRZPUYQCPZQF-UHFFFAOYSA-N
XLogP0.95
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171948779) is (2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is CN1C2COCC1CC(C(=O)c1cnc(-n3ccnc3)nc1)C2.
What is the InChIKey of (2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is HVJRZPUYQCPZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-20-13-4-11(5-14(20)9-23-8-13)15(22)12-6-18-16(19-7-12)21-3-2-17-10-21/h2-3,6-7,10-11,13-14H,4-5,8-9H2,1H3.
What are the key properties of (2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 313.36 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-ylpyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171948779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).