(2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone

C16H19N5O — CID 171948760

IUPAC(2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCN1C2CCC1CC(C(=O)c1cnc(-n3ccnc3)nc1)C2
InChIInChI=1S/C16H19N5O/c1-20-13-2-3-14(20)7-11(6-13)15(22)12-8-18-16(19-9-12)21-5-4-17-10-21/h4-5,8-11,13-14H,2-3,6-7H2,1H3
InChIKeyBYHVBTWWBGYMRF-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.72
Rot. Bonds3

About (2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone

(2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171948760) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171948760
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCN1C2CCC1CC(C(=O)c1cnc(-n3ccnc3)nc1)C2
InChIInChI=1S/C16H19N5O/c1-20-13-2-3-14(20)7-11(6-13)15(22)12-8-18-16(19-9-12)21-5-4-17-10-21/h4-5,8-11,13-14H,2-3,6-7H2,1H3
InChIKeyBYHVBTWWBGYMRF-UHFFFAOYSA-N
XLogP1.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone (CID 171948760) is (2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone is CN1C2CCC1CC(C(=O)c1cnc(-n3ccnc3)nc1)C2.
What is the InChIKey of (2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is BYHVBTWWBGYMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-20-13-2-3-14(20)7-11(6-13)15(22)12-8-18-16(19-9-12)21-5-4-17-10-21/h4-5,8-11,13-14H,2-3,6-7H2,1H3.
What are the key properties of (2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
(2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 297.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171948760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).